 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer07_STD_M11_def2SVPD.in
 Output=10_L-serine_conformer07_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-254688.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    254712.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer07_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:37:28 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer07_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.290730000000      0.712663000000      0.358259000000
  C                                                -0.059673000000      0.650207000000     -0.359706000000
  C                                                -0.852428000000     -0.631020000000     -0.023937000000
  O                                                -0.170827000000     -1.783936000000     -0.115771000000
  O                                                 2.106421000000     -0.370921000000     -0.116056000000
  N                                                -0.796184000000      1.869755000000     -0.086038000000
  O                                                -2.012397000000     -0.611288000000      0.285099000000
  H                                                 0.160738000000      0.608893000000     -1.431500000000
  H                                                 1.753555000000      1.672222000000      0.125488000000
  H                                                 1.147859000000      0.642089000000      1.441905000000
  H                                                 0.778104000000     -1.587327000000     -0.255792000000
  H                                                -1.294207000000      1.773751000000      0.793150000000
  H                                                -1.516728000000      1.999402000000     -0.785323000000
  H                                                 2.886618000000     -0.459251000000      0.440467000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:37:28 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.290730    0.712663    0.358259
      2          6           0       -0.059673    0.650207   -0.359706
      3          6           0       -0.852428   -0.631020   -0.023937
      4          8           0       -0.170827   -1.783936   -0.115771
      5          8           0        2.106421   -0.370921   -0.116056
      6          7           0       -0.796184    1.869755   -0.086038
      7          8           0       -2.012397   -0.611288    0.285099
      8          1           0        0.160738    0.608893   -1.431500
      9          1           0        1.753555    1.672222    0.125488
     10          1           0        1.147859    0.642089    1.441905
     11          1           0        0.778104   -1.587327   -0.255792
     12          1           0       -1.294207    1.773751    0.793150
     13          1           0       -1.516728    1.999402   -0.785323
     14          1           0        2.886618   -0.459251    0.440467
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530674   0.000000
     3  C    2.558258   1.543614   0.000000
     4  O    2.931529   2.448859   1.342471   0.000000
     5  O    1.436830   2.407079   2.971687   2.680013   0.000000
     6  N    2.427235   1.450738   2.502178   3.706941   3.666967
     7  O    3.559332   2.412524   1.200592   2.219725   4.145282
     8  H    2.119171   1.095002   2.131929   2.750765   2.544820
     9  H    1.090478   2.137223   3.481149   3.963140   2.087413
    10  H    1.095300   2.168871   2.787588   3.170313   2.090998
    11  H    2.435118   2.391491   1.904446   0.979148   1.806542
    12  H    2.827886   2.028670   2.577930   3.839955   4.121959
    13  H    3.293220   2.030883   2.817822   4.071044   4.381045
    14  H    1.981666   3.248354   3.771689   3.378189   0.962407
                    6          7          8          9         10
     6  N    0.000000
     7  O    2.787919   0.000000
     8  H    2.077436   3.026230   0.000000
     9  H    2.566112   4.407073   2.468187   0.000000
    10  H    2.760630   3.591152   3.038415   1.777919   0.000000
    11  H    3.802449   3.005347   2.566479   3.423673   2.826515
    12  H    1.014995   2.542110   2.902211   3.121688   2.768615
    13  H    1.012419   2.864820   2.272653   3.410480   3.728655
    14  H    4.389135   4.903835   3.474998   2.434383   2.288910
                   11         12         13         14
    11  H    0.000000
    12  H    4.085535   0.000000
    13  H    4.290837   1.609972   0.000000
    14  H    2.490615   4.752892   5.190086   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.49D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.290730    0.712663    0.358259
      2          6           0       -0.059673    0.650207   -0.359706
      3          6           0       -0.852428   -0.631020   -0.023937
      4          8           0       -0.170827   -1.783936   -0.115771
      5          8           0        2.106421   -0.370921   -0.116056
      6          7           0       -0.796184    1.869755   -0.086038
      7          8           0       -2.012397   -0.611288    0.285099
      8          1           0        0.160738    0.608893   -1.431500
      9          1           0        1.753555    1.672222    0.125488
     10          1           0        1.147859    0.642089    1.441905
     11          1           0        0.778104   -1.587327   -0.255792
     12          1           0       -1.294207    1.773751    0.793150
     13          1           0       -1.516728    1.999402   -0.785323
     14          1           0        2.886618   -0.459251    0.440467
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4231422           2.5009554           1.5382060
 Leave Link  202 at Thu Aug 12 21:37:29 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   219 symmetry adapted cartesian basis functions of A   symmetry.
 There are   205 symmetry adapted basis functions of A   symmetry.
   205 basis functions,   303 primitive gaussians,   219 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       326.5886488201 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:37:29 2021, MaxMem=  5368709120 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   205 RedAO= T EigKep=  7.00D-05  NBF=   205
 NBsUse=   205 1.00D-06 EigRej= -1.00D+00 NBFU=   205
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   219   219   219   219   219 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 21:37:30 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:37:30 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer07_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:37:30 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368609234 LenY=  5368560832
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.494534779777    
 DIIS: error= 4.19D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.494534779777     IErMin= 1 ErrMin= 4.19D-03
 ErrMax= 4.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-02 BMatP= 1.95D-02
 IDIUse=3 WtCom= 9.58D-01 WtEn= 4.19D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 GapD=    0.445 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.29D-03 MaxDP=2.49D-01              OVMax= 2.02D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.29D-03    CP:  1.01D+00
 E= -398.513355537156     Delta-E=       -0.018820757379 Rises=F Damp=F
 DIIS: error= 1.49D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.513355537156     IErMin= 2 ErrMin= 1.49D-03
 ErrMax= 1.49D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-03 BMatP= 1.95D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.49D-02
 Coeff-Com:  0.223D-01 0.978D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.220D-01 0.978D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=9.97D-04 MaxDP=3.22D-02 DE=-1.88D-02 OVMax= 9.66D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.44D-04    CP:  1.01D+00  1.12D+00
 E= -398.514211266415     Delta-E=       -0.000855729259 Rises=F Damp=F
 DIIS: error= 9.98D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.514211266415     IErMin= 3 ErrMin= 9.98D-04
 ErrMax= 9.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.54D-04 BMatP= 1.24D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.98D-03
 Coeff-Com: -0.655D-01 0.477D+00 0.589D+00
 Coeff-En:   0.000D+00 0.896D-01 0.910D+00
 Coeff:     -0.649D-01 0.473D+00 0.592D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=2.36D-04 MaxDP=8.42D-03 DE=-8.56D-04 OVMax= 4.08D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.59D-04    CP:  1.01D+00  1.16D+00  9.56D-01
 E= -398.514848928371     Delta-E=       -0.000637661956 Rises=F Damp=F
 DIIS: error= 1.84D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.514848928371     IErMin= 4 ErrMin= 1.84D-04
 ErrMax= 1.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-05 BMatP= 9.54D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.84D-03
 Coeff-Com: -0.170D-01 0.509D-01 0.135D+00 0.831D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.169D-01 0.508D-01 0.135D+00 0.831D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=8.30D-05 MaxDP=1.79D-03 DE=-6.38D-04 OVMax= 1.35D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.66D-05    CP:  1.01D+00  1.16D+00  9.95D-01  1.15D+00
 E= -398.514873627243     Delta-E=       -0.000024698872 Rises=F Damp=F
 DIIS: error= 8.92D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.514873627243     IErMin= 5 ErrMin= 8.92D-05
 ErrMax= 8.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.97D-06 BMatP= 2.28D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.300D-02-0.481D-01-0.401D-01 0.331D+00 0.754D+00
 Coeff:      0.300D-02-0.481D-01-0.401D-01 0.331D+00 0.754D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=3.36D-05 MaxDP=1.04D-03 DE=-2.47D-05 OVMax= 7.51D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.58D-05    CP:  1.01D+00  1.16D+00  1.02D+00  1.21D+00  1.03D+00
 E= -398.514879553755     Delta-E=       -0.000005926512 Rises=F Damp=F
 DIIS: error= 3.65D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.514879553755     IErMin= 6 ErrMin= 3.65D-05
 ErrMax= 3.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.76D-07 BMatP= 5.97D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.319D-02-0.288D-01-0.338D-01 0.840D-01 0.365D+00 0.610D+00
 Coeff:      0.319D-02-0.288D-01-0.338D-01 0.840D-01 0.365D+00 0.610D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.00D-05 MaxDP=2.77D-04 DE=-5.93D-06 OVMax= 2.52D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.88D-06    CP:  1.01D+00  1.16D+00  1.02D+00  1.22D+00  1.07D+00
                    CP:  1.15D+00
 E= -398.514880410773     Delta-E=       -0.000000857018 Rises=F Damp=F
 DIIS: error= 7.31D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.514880410773     IErMin= 7 ErrMin= 7.31D-06
 ErrMax= 7.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-08 BMatP= 9.76D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.210D-03 0.141D-02-0.725D-03-0.370D-01-0.462D-01 0.125D+00
 Coeff-Com:  0.958D+00
 Coeff:      0.210D-03 0.141D-02-0.725D-03-0.370D-01-0.462D-01 0.125D+00
 Coeff:      0.958D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=6.61D-06 MaxDP=3.06D-04 DE=-8.57D-07 OVMax= 1.60D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.43D-06    CP:  1.01D+00  1.16D+00  1.02D+00  1.21D+00  1.11D+00
                    CP:  1.32D+00  1.30D+00
 E= -398.514880511805     Delta-E=       -0.000000101032 Rises=F Damp=F
 DIIS: error= 2.44D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.514880511805     IErMin= 8 ErrMin= 2.44D-06
 ErrMax= 2.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-09 BMatP= 5.10D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.213D-03 0.259D-02 0.278D-02-0.146D-01-0.361D-01-0.285D-01
 Coeff-Com:  0.180D+00 0.894D+00
 Coeff:     -0.213D-03 0.259D-02 0.278D-02-0.146D-01-0.361D-01-0.285D-01
 Coeff:      0.180D+00 0.894D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=2.64D-06 MaxDP=1.04D-04 DE=-1.01D-07 OVMax= 5.24D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.06D-06    CP:  1.01D+00  1.16D+00  1.02D+00  1.21D+00  1.11D+00
                    CP:  1.38D+00  1.44D+00  1.23D+00
 E= -398.514880519887     Delta-E=       -0.000000008082 Rises=F Damp=F
 DIIS: error= 1.06D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.514880519887     IErMin= 9 ErrMin= 1.06D-06
 ErrMax= 1.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.18D-10 BMatP= 4.42D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.876D-04 0.697D-03 0.103D-02-0.123D-02-0.664D-02-0.259D-01
 Coeff-Com: -0.509D-01 0.334D+00 0.749D+00
 Coeff:     -0.876D-04 0.697D-03 0.103D-02-0.123D-02-0.664D-02-0.259D-01
 Coeff:     -0.509D-01 0.334D+00 0.749D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=9.40D-07 MaxDP=8.69D-05 DE=-8.08D-09 OVMax= 1.94D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.08D-07    CP:  1.01D+00  1.16D+00  1.02D+00  1.21D+00  1.11D+00
                    CP:  1.39D+00  1.49D+00  1.40D+00  1.06D+00
 E= -398.514880521151     Delta-E=       -0.000000001264 Rises=F Damp=F
 DIIS: error= 2.39D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.514880521151     IErMin=10 ErrMin= 2.39D-07
 ErrMax= 2.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.79D-11 BMatP= 9.18D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.718D-05-0.157D-03-0.131D-03 0.132D-02 0.306D-02-0.990D-03
 Coeff-Com: -0.254D-01-0.482D-01 0.958D-01 0.975D+00
 Coeff:      0.718D-05-0.157D-03-0.131D-03 0.132D-02 0.306D-02-0.990D-03
 Coeff:     -0.254D-01-0.482D-01 0.958D-01 0.975D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=3.46D-07 MaxDP=1.39D-05 DE=-1.26D-09 OVMax= 6.91D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.07D-07    CP:  1.01D+00  1.16D+00  1.02D+00  1.21D+00  1.11D+00
                    CP:  1.40D+00  1.51D+00  1.45D+00  1.21D+00  1.21D+00
 E= -398.514880521274     Delta-E=       -0.000000000123 Rises=F Damp=F
 DIIS: error= 9.35D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.514880521274     IErMin=11 ErrMin= 9.35D-08
 ErrMax= 9.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.52D-12 BMatP= 4.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-04-0.112D-03-0.138D-03 0.566D-03 0.160D-02 0.196D-02
 Coeff-Com: -0.372D-02-0.465D-01-0.393D-01 0.296D+00 0.789D+00
 Coeff:      0.101D-04-0.112D-03-0.138D-03 0.566D-03 0.160D-02 0.196D-02
 Coeff:     -0.372D-02-0.465D-01-0.393D-01 0.296D+00 0.789D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=9.29D-08 MaxDP=3.83D-06 DE=-1.23D-10 OVMax= 2.02D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.02D-08    CP:  1.01D+00  1.16D+00  1.02D+00  1.21D+00  1.11D+00
                    CP:  1.40D+00  1.51D+00  1.46D+00  1.25D+00  1.29D+00
                    CP:  1.19D+00
 E= -398.514880521290     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 3.19D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -398.514880521290     IErMin=12 ErrMin= 3.19D-08
 ErrMax= 3.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-12 BMatP= 7.52D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.211D-05-0.120D-04-0.228D-04-0.144D-04 0.298D-04 0.619D-03
 Coeff-Com:  0.216D-02-0.516D-02-0.209D-01-0.519D-01 0.222D+00 0.853D+00
 Coeff:      0.211D-05-0.120D-04-0.228D-04-0.144D-04 0.298D-04 0.619D-03
 Coeff:      0.216D-02-0.516D-02-0.209D-01-0.519D-01 0.222D+00 0.853D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=2.95D-08 MaxDP=1.10D-06 DE=-1.58D-11 OVMax= 7.40D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.12D-08    CP:  1.01D+00  1.16D+00  1.02D+00  1.21D+00  1.11D+00
                    CP:  1.40D+00  1.51D+00  1.46D+00  1.25D+00  1.32D+00
                    CP:  1.30D+00  1.24D+00
 E= -398.514880521284     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 1.22D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -398.514880521290     IErMin=13 ErrMin= 1.22D-08
 ErrMax= 1.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-13 BMatP= 1.01D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.652D-06 0.105D-04 0.107D-04-0.761D-04-0.204D-03-0.429D-04
 Coeff-Com:  0.123D-02 0.426D-02-0.252D-02-0.588D-01-0.152D-01 0.310D+00
 Coeff-Com:  0.761D+00
 Coeff:     -0.652D-06 0.105D-04 0.107D-04-0.761D-04-0.204D-03-0.429D-04
 Coeff:      0.123D-02 0.426D-02-0.252D-02-0.588D-01-0.152D-01 0.310D+00
 Coeff:      0.761D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=9.55D-09 MaxDP=2.77D-07 DE= 6.37D-12 OVMax= 2.53D-07

 SCF Done:  E(RM11) =  -398.514880521     A.U. after   13 cycles
            NFock= 13  Conv=0.95D-08     -V/T= 2.0106
 KE= 3.943488997215D+02 PE=-1.585587779843D+03 EE= 4.661353507805D+02
 Leave Link  502 at Thu Aug 12 21:38:12 2021, MaxMem=  5368709120 cpu:             336.0 elap:              42.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   205
 NBasis=   205 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    205 NOA=    28 NOB=    28 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.25244318D+02

 Leave Link  801 at Thu Aug 12 21:38:12 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4250 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.26D-14 8.33D-09 XBig12= 1.00D+00 2.09D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.26D-14 8.33D-09 XBig12= 1.50D-01 5.39D-02.
     11 vectors produced by pass  2 Test12= 8.26D-14 8.33D-09 XBig12= 2.18D-02 3.29D-02.
     11 vectors produced by pass  3 Test12= 8.26D-14 8.33D-09 XBig12= 1.68D-03 9.09D-03.
     11 vectors produced by pass  4 Test12= 8.26D-14 8.33D-09 XBig12= 6.97D-05 1.80D-03.
     11 vectors produced by pass  5 Test12= 8.26D-14 8.33D-09 XBig12= 2.38D-06 2.74D-04.
     11 vectors produced by pass  6 Test12= 8.26D-14 8.33D-09 XBig12= 6.68D-08 3.79D-05.
     11 vectors produced by pass  7 Test12= 8.26D-14 8.33D-09 XBig12= 1.52D-09 5.99D-06.
     11 vectors produced by pass  8 Test12= 8.26D-14 8.33D-09 XBig12= 2.95D-11 7.45D-07.
      9 vectors produced by pass  9 Test12= 8.26D-14 8.33D-09 XBig12= 5.40D-13 9.99D-08.
      3 vectors produced by pass 10 Test12= 8.26D-14 8.33D-09 XBig12= 9.35D-15 1.23D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.672578D+02
      2 -0.205044D+01  0.612403D+02
      3 -0.107913D+01  0.525951D+00  0.480861D+02
 Isotropic polarizability for W=    0.088559       58.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.534718D+00 -0.211507D+02  0.893102D+01
      2   0.243106D+01  0.344944D+02 -0.808026D+01
      3  -0.189634D+01 -0.133436D+02 -0.850760D+00
      4   0.151359D+02  0.208452D+01  0.704494D+01
      5   0.118297D+02  0.361930D+01  0.631838D+01
      6   0.672577D+01 -0.201170D+01  0.290047D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.353066D+01 -0.156891D+01 -0.165002D+02
      2   0.467078D+01  0.109454D+01  0.318258D+01
      3   0.977231D+01 -0.109681D+00  0.168703D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.342564D+01  0.606856D+01 -0.423483D+02
      2  -0.289871D+01  0.319167D+00  0.821472D+01
      3   0.362867D+02  0.346540D+00  0.310647D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.534377D+00 -0.379236D+00  0.924276D+00
      2  -0.379236D+00 -0.842025D+00  0.301933D+00
      3   0.924276D+00  0.301933D+00 -0.441443D+00
 OR G Eigenvalues:    -1.3863    -0.4699     1.1070  Iso=     0.2497
 Eigenvectors:
   (1)   0.430288   0.648318  -0.628121
   (2)  -0.265345   0.755931   0.598466
   (3)   0.862812  -0.090844   0.497296
 w=    0.088559 a.u., Optical Rotation Beta=      0.2497 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      120.48 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21115 ScalPx= 1.38D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.15D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.38D-14 2.78D-09 XBig12= 1.00D+00 3.32D-01.
     30 vectors produced by pass  1 Test12= 1.38D-14 2.78D-09 XBig12= 5.38D-02 4.09D-02.
     30 vectors produced by pass  2 Test12= 1.38D-14 2.78D-09 XBig12= 1.54D-03 8.02D-03.
     30 vectors produced by pass  3 Test12= 1.38D-14 2.78D-09 XBig12= 2.20D-05 6.03D-04.
     30 vectors produced by pass  4 Test12= 1.38D-14 2.78D-09 XBig12= 2.86D-07 6.62D-05.
     30 vectors produced by pass  5 Test12= 1.38D-14 2.78D-09 XBig12= 3.52D-09 6.07D-06.
     30 vectors produced by pass  6 Test12= 1.38D-14 2.78D-09 XBig12= 3.04D-11 7.83D-07.
     30 vectors produced by pass  7 Test12= 1.38D-14 2.78D-09 XBig12= 1.90D-13 4.52D-08.
      3 vectors produced by pass  8 Test12= 1.38D-14 2.78D-09 XBig12= 1.21D-15 3.01D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   243 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 5.97D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 5.97D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.82D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.672578D+02 -0.205044D+01 -0.107913D+01
      2  -0.205044D+01  0.612403D+02  0.525951D+00
      3  -0.107913D+01  0.525951D+00  0.480861D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.353066D+01 -0.156891D+01 -0.165002D+02
      2   0.467078D+01  0.109454D+01  0.318258D+01
      3   0.977231D+01 -0.109681D+00  0.168703D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.534718D+00 -0.211507D+02  0.893102D+01
      2   0.243106D+01  0.344944D+02 -0.808026D+01
      3  -0.189634D+01 -0.133436D+02 -0.850760D+00
      4   0.151359D+02  0.208452D+01  0.704494D+01
      5   0.118297D+02  0.361930D+01  0.631838D+01
      6   0.672577D+01 -0.201170D+01  0.290047D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.304713D+01  0.730993D+00  0.180655D+01  0.408888D+00 -0.439228D+01
      2   0.730993D+00 -0.268758D+01  0.207910D+00 -0.439228D+01 -0.351020D+01
      3   0.180655D+01  0.207910D+00  0.156297D+01 -0.711131D-02  0.117691D+01
                 6             7             8             9            10 
      1  -0.711131D-02  0.253231D+01 -0.123402D-01  0.990037D+00 -0.430942D+01
      2   0.117691D+01 -0.123402D-01  0.190118D+01 -0.219831D+00  0.215845D+00
      3  -0.113154D+00  0.990037D+00 -0.219831D+00 -0.688314D+01 -0.110051D+01
                11            12            13            14            15 
      1   0.215845D+00 -0.110051D+01 -0.129840D+01  0.328478D+01  0.185615D+00
      2   0.352318D+01  0.410825D-01  0.328478D+01  0.377889D+01 -0.303496D+00
      3   0.410825D-01 -0.184207D+01  0.185615D+00 -0.303496D+00  0.504580D+00
                16            17            18            19            20 
      1  -0.143002D+01  0.571599D-01 -0.202465D+01  0.731857D+01 -0.181580D+00
      2   0.571599D-01 -0.107008D+01 -0.636340D-01 -0.181580D+00 -0.128128D+01
      3  -0.202465D+01 -0.636340D-01  0.647055D+01 -0.124883D+01 -0.306518D+00
                21            22            23            24            25 
      1  -0.124883D+01  0.417057D+00 -0.272148D+01 -0.307378D+00 -0.180384D+01
      2  -0.306518D+00 -0.272148D+01 -0.239837D+01  0.307884D+00 -0.289349D+00
      3   0.936364D+00 -0.307378D+00  0.307884D+00 -0.479212D+00  0.797373D+00
                26            27            28            29            30 
      1  -0.289349D+00  0.797373D+00 -0.396647D+01 -0.278600D+01  0.232117D+00
      2   0.418884D+00 -0.478851D+00 -0.278600D+01 -0.497742D+00 -0.123193D+00
      3  -0.478851D+00 -0.117740D+01  0.232117D+00 -0.123193D+00  0.111383D+00
                31            32            33            34            35 
      1  -0.166532D+01  0.157153D+01 -0.625497D-01  0.742732D+00  0.274913D-01
      2   0.157153D+01 -0.786033D+01 -0.461103D+00  0.274913D-01  0.161135D+00
      3  -0.625497D-01 -0.461103D+00 -0.106765D+01  0.607804D+00 -0.181869D+01
                36            37            38            39            40 
      1   0.607804D+00 -0.193091D+01 -0.117113D+01 -0.268803D+01 -0.172788D+01
      2  -0.181869D+01 -0.117113D+01  0.840283D-01  0.397959D+00  0.214905D+01
      3  -0.313560D+00 -0.268803D+01  0.397959D+00 -0.958510D+00  0.323295D+00
                41            42            43            44            45 
      1   0.214905D+01  0.323295D+00 -0.499703D+01  0.126178D+01 -0.277219D+00
      2  -0.245088D+01 -0.100163D+01  0.126178D+01 -0.157577D+01 -0.719504D+00
      3  -0.100163D+01  0.217280D-01 -0.277219D+00 -0.719504D+00 -0.155034D+01
                46            47            48            49            50 
      1   0.316768D+01 -0.433217D+00  0.943113D+00  0.591460D+00 -0.198246D+01
      2  -0.433217D+00 -0.415759D+00 -0.307496D+00 -0.198246D+01  0.502084D+01
      3   0.943113D+00 -0.307496D+00  0.363890D+01 -0.541753D+00  0.189755D+00
                51            52            53            54            55 
      1  -0.541753D+00  0.143038D+01 -0.633548D+00  0.343234D+01 -0.142195D+02
      2   0.189755D+00 -0.633548D+00  0.339228D-01  0.717485D+00 -0.570304D+00
      3   0.524693D+00  0.343234D+01  0.717485D+00 -0.167562D+01  0.171567D+01
                56            57            58            59            60 
      1  -0.570304D+00  0.171567D+01 -0.108814D+01 -0.241514D+01  0.256690D+00
      2  -0.324983D+01  0.124218D+00 -0.241514D+01 -0.152417D+00  0.530780D+00
      3   0.124218D+00 -0.249535D+01  0.256690D+00  0.530780D+00  0.121858D+00
                61            62            63            64            65 
      1   0.238392D+01  0.275638D+00 -0.345243D+01  0.179223D+01  0.230607D+00
      2   0.275638D+00  0.887277D+00 -0.176445D+00  0.230607D+00 -0.295132D+00
      3  -0.345243D+01 -0.176445D+00  0.212887D+01 -0.110363D+01 -0.257439D-02
                66            67            68            69            70 
      1  -0.110363D+01  0.749356D-01 -0.339777D+00 -0.187953D-01 -0.158988D+01
      2  -0.257439D-02 -0.339777D+00  0.264263D-01 -0.122274D+01 -0.106800D-01
      3   0.137784D+01 -0.187953D-01 -0.122274D+01 -0.431501D-01  0.118314D+01
                71            72            73            74            75 
      1  -0.106800D-01  0.118314D+01  0.242641D+01  0.211982D+01 -0.544952D+00
      2  -0.158055D+01  0.358762D+00  0.211982D+01  0.244713D+01 -0.152137D+00
      3   0.358762D+00 -0.831272D+01 -0.544952D+00 -0.152137D+00  0.423689D+00
                76            77            78            79            80 
      1   0.289669D+01  0.297152D+01 -0.621398D-01 -0.111184D+01 -0.353381D+00
      2   0.297152D+01  0.706906D+01 -0.522803D+00 -0.353381D+00 -0.125058D+01
      3  -0.621398D-01 -0.522803D+00  0.981177D+00  0.577683D+00  0.119454D+01
                81            82            83            84            85 
      1   0.577683D+00 -0.676368D+00  0.129310D+00  0.982435D+00 -0.253215D+00
      2   0.119454D+01  0.129310D+00  0.199077D+00 -0.180696D+00  0.422484D+00
      3   0.180069D+00  0.982435D+00 -0.180696D+00 -0.100252D+01 -0.567825D-01
                86            87            88            89            90 
      1   0.422484D+00 -0.567825D-01  0.162405D+01 -0.215618D+00  0.413976D+00
      2   0.355449D+00  0.110635D+01 -0.215618D+00  0.121102D+01  0.551278D+00
      3   0.110635D+01 -0.198881D+00  0.413976D+00  0.551278D+00  0.858505D+01
                91            92            93            94            95 
      1   0.623651D+01  0.716702D+00 -0.172295D+00  0.105825D+01  0.110409D+01
      2   0.716702D+00  0.249460D+01  0.244949D+00  0.110409D+01 -0.616238D+00
      3  -0.172295D+00  0.244949D+00  0.619230D+00  0.134956D+00 -0.394656D-01
                96            97            98            99           100 
      1   0.134956D+00 -0.710584D+00  0.160670D+00  0.357806D+00 -0.205064D+01
      2  -0.394656D-01  0.160670D+00 -0.291591D+00 -0.544558D+00  0.776913D+00
      3  -0.500463D+00  0.357806D+00 -0.544558D+00 -0.388139D+00  0.140618D+01
               101           102           103           104           105 
      1   0.776913D+00  0.140618D+01  0.349172D+00 -0.267221D-01 -0.115694D+00
      2  -0.600508D+00 -0.426692D+00 -0.267221D-01  0.401622D+00  0.289389D+00
      3  -0.426692D+00 -0.195337D+01 -0.115694D+00  0.289389D+00 -0.154508D+00
               106           107           108           109           110 
      1   0.220425D+01 -0.480547D+00 -0.219704D+01 -0.437104D+01  0.182315D+01
      2  -0.480547D+00  0.150401D+01  0.662724D+00  0.182315D+01 -0.112454D+01
      3  -0.219704D+01  0.662724D+00  0.434555D+01 -0.208604D+01  0.825674D+00
               111           112           113           114           115 
      1  -0.208604D+01  0.140597D+01 -0.578054D+00  0.588956D+00 -0.309681D+01
      2   0.825674D+00 -0.578054D+00  0.120384D+01 -0.420637D+00  0.104871D+01
      3  -0.207095D+01  0.588956D+00 -0.420637D+00  0.656569D+00 -0.241537D+01
               116           117           118           119           120 
      1   0.104871D+01 -0.241537D+01  0.753580D+01 -0.160111D+01  0.185822D+01
      2  -0.126402D+01  0.964150D+00 -0.160111D+01  0.140434D+01 -0.342486D+00
      3   0.964150D+00 -0.272108D+01  0.185822D+01 -0.342486D+00  0.165240D+01
               121           122           123           124           125 
      1  -0.116947D+01  0.952445D+00 -0.317309D+00  0.382236D+01 -0.835988D+00
      2   0.952445D+00 -0.867697D+00  0.370807D+00 -0.835988D+00  0.915161D+00
      3  -0.317309D+00  0.370807D+00 -0.253585D+00  0.200655D+01 -0.427419D+00
               126 
      1   0.200655D+01
      2  -0.427419D+00
      3   0.131191D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.264036D+01 -0.268606D+01 -0.290430D+01 -0.323860D+01 -0.308570D+01
      2   0.419878D+01  0.359525D+00  0.284910D+01 -0.679418D+00  0.328455D+01
      3   0.372663D+01  0.469310D+01  0.131639D+01  0.757340D+01 -0.222921D+01
                 6             7             8             9            10 
      1  -0.339804D+00 -0.148586D+01  0.278420D+01  0.773507D+01  0.226996D+01
      2   0.806697D+00 -0.246925D+01 -0.445892D+00 -0.782745D+01 -0.140330D+01
      3  -0.942366D+00  0.246847D+01 -0.234074D+01  0.156272D+01 -0.839488D+00
                11            12            13            14            15 
      1  -0.150306D+01 -0.154721D+00 -0.204626D+01 -0.191672D+01 -0.309192D+01
      2  -0.908355D-01  0.145831D+01  0.125369D+00  0.540993D+00  0.165004D+01
      3  -0.381921D+01 -0.976537D+00  0.176778D+01  0.211690D+01  0.819175D+00
                16            17            18            19            20 
      1   0.158932D+01  0.418096D+01 -0.267797D+01 -0.129267D+01  0.708110D+01
      2  -0.447646D+01 -0.166588D+00 -0.880049D-01 -0.283810D+01 -0.172854D+01
      3  -0.195659D+01  0.446488D+00 -0.159913D+01 -0.550215D+01  0.153164D+01
                21            22            23            24            25 
      1   0.506986D+00  0.290072D+01  0.411851D+01  0.542142D+01  0.309803D+01
      2  -0.895189D+01 -0.142188D+01 -0.728451D+00  0.718086D-01 -0.110557D+02
      3   0.119846D+01  0.324827D+01 -0.326231D+00 -0.197563D+01  0.163242D+01
                26            27            28            29            30 
      1   0.167056D+02 -0.147162D+01  0.674700D+00 -0.146242D+01 -0.293493D+00
      2  -0.368390D+01  0.497242D+01 -0.174849D+01 -0.327790D+00  0.357177D+01
      3  -0.531802D+01 -0.604585D+00  0.136926D+02  0.245398D+01 -0.516744D+00
                31            32            33            34            35 
      1   0.594177D+00  0.833101D+00 -0.744678D+01 -0.574502D+00 -0.396847D+01
      2  -0.631856D+00  0.109442D+00 -0.174251D+01 -0.204059D+01  0.217219D+01
      3   0.118542D+02 -0.126035D+01 -0.160686D+00 -0.238083D+01  0.982051D+00
                36            37            38            39            40 
      1   0.279659D+00 -0.231195D+01  0.462064D+00  0.117475D+01  0.107154D+01
      2  -0.433043D+00 -0.773494D+01  0.245890D+01  0.136800D+01  0.189436D+01
      3  -0.157215D+01  0.527247D+01 -0.748180D+01 -0.123618D+00  0.635018D+00
                41            42            43            44            45 
      1  -0.819924D+00 -0.440191D+01 -0.130207D+01  0.322958D+01 -0.216809D+01
      2  -0.280687D+01 -0.112784D+01 -0.569031D+01 -0.431012D+00 -0.542356D+01
      3   0.756954D+01  0.223817D+01 -0.269893D+00  0.492712D+01  0.187977D+01
                46            47            48            49            50 
      1  -0.227483D+01  0.144606D+01 -0.807349D+01  0.231935D+01 -0.170883D+01
      2  -0.137269D+01  0.155701D+01  0.123854D-01  0.870253D+00 -0.984375D+00
      3   0.840108D+01 -0.565794D+01  0.123248D+01  0.525665D+01 -0.626127D+00
                51            52            53            54            55 
      1  -0.592498D+01 -0.924905D+01  0.242241D+01  0.289469D+01  0.225514D+01
      2  -0.808016D+00 -0.665821D+01  0.189257D+01  0.876838D+00 -0.582660D+00
      3  -0.122244D+01  0.212151D+01 -0.189942D+01  0.944619D+01  0.973257D+01
                56            57            58            59            60 
      1  -0.318270D+01 -0.216317D+01 -0.859916D+00 -0.145876D+00 -0.384014D+01
      2   0.378704D-01  0.124647D+02  0.831571D+00 -0.554643D+00  0.161012D+01
      3  -0.132300D+02 -0.108178D+01 -0.129792D-01  0.121512D+01  0.979138D+00
                61            62            63            64            65 
      1  -0.403802D+01 -0.554941D+00  0.220712D+01  0.624161D+00 -0.169639D+00
      2   0.110932D+01  0.172154D+01 -0.416669D+01  0.134627D+01  0.202917D+00
      3  -0.864953D+00  0.402574D+01  0.280486D+01  0.122673D+01 -0.660181D+00
                66            67            68            69            70 
      1  -0.762314D+00  0.200967D+00  0.788476D+00  0.131717D+00 -0.114493D+01
      2   0.497890D+00 -0.269677D+00 -0.109949D+00 -0.327254D-01 -0.262348D+01
      3  -0.610174D+00  0.124061D+01 -0.289292D+00 -0.201470D+00 -0.748964D+00
                71            72            73            74            75 
      1   0.237615D+01  0.510777D+01  0.157869D+01  0.133229D+01 -0.109307D+01
      2   0.374787D+00 -0.453693D-01 -0.110060D+01 -0.106920D+01  0.175561D+01
      3   0.579271D+00  0.349238D+00  0.149160D+00 -0.216910D+01 -0.367670D+00
                76            77            78            79            80 
      1   0.108810D+01  0.310076D+01 -0.337439D+01 -0.495885D+00 -0.104013D+01
      2  -0.693583D+00 -0.143584D+01  0.211663D+01  0.121010D+00  0.152103D+01
      3   0.237264D+01 -0.770833D+01  0.761036D+00 -0.142939D+01  0.157370D+01
                81            82            83            84            85 
      1   0.288078D+00 -0.785237D+00 -0.220496D+00  0.736730D+00  0.150318D+00
      2  -0.207698D+00  0.218298D+01 -0.422370D+00 -0.881028D+00  0.221021D+00
      3  -0.950454D+00 -0.133478D+01 -0.801116D+00  0.923349D+00  0.283552D+00
                86            87            88            89            90 
      1  -0.893966D+00  0.442003D+00 -0.483595D+00  0.305633D+01 -0.799574D+01
      2   0.134567D+01 -0.182476D+00 -0.371397D+01  0.118299D+01  0.111465D+02
      3   0.289977D+00 -0.131459D+01  0.162428D+01 -0.166089D+01 -0.863585D+00
                91            92            93            94            95 
      1  -0.889087D+00 -0.173172D+00  0.220433D+01  0.684479D-01 -0.707872D-01
      2   0.275912D+01  0.888017D+00 -0.950136D+00  0.838799D+00  0.369027D+00
      3  -0.201570D+02 -0.283501D+01  0.257883D+00 -0.386472D+01 -0.805594D+00
                96            97            98            99           100 
      1   0.255134D+00  0.132927D+01  0.943952D+00 -0.375408D+00 -0.325993D+01
      2  -0.104383D+01 -0.226915D+01 -0.282117D+00 -0.239195D+00 -0.824132D+00
      3  -0.351832D+00  0.158903D+01 -0.482499D+00 -0.338355D+00 -0.405266D+01
               101           102           103           104           105 
      1   0.334209D+00  0.490767D+01  0.159493D+00 -0.117328D+01  0.465249D-01
      2   0.695804D+00  0.276832D+01  0.622788D+00  0.154004D+00  0.539810D-01
      3  -0.276169D+00  0.304949D+01  0.613959D+00 -0.426617D+00  0.501805D-01
               106           107           108           109           110 
      1   0.548287D+01  0.406402D+00 -0.967557D+01  0.427854D+01 -0.114373D+01
      2   0.634940D+00 -0.838528D+00 -0.425175D+01  0.849157D+00 -0.904914D+00
      3   0.513268D+01  0.696179D+00 -0.508383D+01 -0.846125D+01  0.106022D+01
               111           112           113           114           115 
      1   0.487430D+01 -0.153789D+01  0.593633D+00 -0.136864D+01  0.509896D+01
      2   0.279987D+01 -0.600662D+00  0.272149D-01 -0.665888D+00  0.834094D+00
      3  -0.408347D+01  0.297300D+01 -0.311525D+00  0.128541D+01 -0.636322D+01
               116           117           118           119           120 
      1  -0.350555D+00  0.545159D+01  0.177287D+01 -0.114440D+00  0.103979D+01
      2  -0.834418D+00  0.245186D+01  0.573029D+01 -0.139262D+01  0.528674D+01
      3   0.686139D+00 -0.486838D+01 -0.828506D+00 -0.342787D+01 -0.481911D+00
               121           122           123           124           125 
      1  -0.332142D+00  0.116835D+00 -0.557886D+00  0.115007D+01  0.428000D+00
      2  -0.110708D+01  0.789228D+00 -0.705994D+00  0.466580D+01 -0.115389D+01
      3  -0.309471D+00  0.176299D+01 -0.501448D+00 -0.554558D+00 -0.221511D+01
               126 
      1   0.664274D+00
      2   0.377248D+01
      3  -0.162310D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.398247D+00  0.952497D+00  0.170432D+01  0.937247D+01 -0.440653D+01
      2  -0.360407D+01 -0.217536D+01 -0.365469D+01 -0.123816D+02 -0.102886D+02
      3   0.400232D+01  0.122287D+01  0.195037D+01  0.300917D+01  0.146951D+02
      4   0.406492D+01 -0.108138D+02  0.408908D+01 -0.165312D+02 -0.177779D+02
      5   0.782966D+01  0.594691D+00  0.173297D+01 -0.242056D+01  0.290205D+01
      6   0.380440D+01  0.109829D+01  0.476210D+01  0.195082D+00  0.250196D+00
                 6             7             8             9            10 
      1  -0.738047D+00  0.619104D+01 -0.412597D+00  0.125088D+02 -0.490667D+01
      2   0.377333D+01 -0.277125D+01  0.255933D+01  0.635708D+01  0.610842D+01
      3  -0.303528D+01 -0.341979D+01 -0.214673D+01 -0.188659D+02 -0.120175D+01
      4   0.336328D+01  0.195555D+01  0.492332D+01  0.202525D+00 -0.631029D+00
      5   0.246331D+01  0.229749D+01  0.294311D+00 -0.131710D+02 -0.267433D+01
      6  -0.158378D+01  0.223253D+01  0.628621D+00 -0.864271D+01 -0.291111D+01
                11            12            13            14            15 
      1  -0.619938D+01 -0.368312D+01  0.897508D-01  0.960790D+00  0.817291D+00
      2   0.107414D+02  0.781264D+00  0.308025D+01 -0.210261D+01  0.282855D+00
      3  -0.454199D+01  0.290186D+01 -0.317000D+01  0.114182D+01 -0.110015D+01
      4  -0.134385D+01 -0.252949D+01 -0.214789D+01  0.371214D+01 -0.217564D+00
      5  -0.489412D+00 -0.184426D+01  0.289195D+00  0.662287D+00  0.235950D+01
      6  -0.290290D+00 -0.507592D+00  0.125712D+00  0.912791D+00 -0.320520D+00
                16            17            18            19            20 
      1  -0.505898D+01  0.695496D+00  0.883136D+01 -0.326144D+02 -0.524770D+01
      2  -0.408750D+00 -0.391281D+01  0.807172D+01  0.188899D+02  0.483777D+01
      3   0.546773D+01  0.321732D+01 -0.169031D+02  0.137244D+02  0.409937D+00
      4  -0.324334D+01 -0.652806D+00 -0.334449D+01 -0.106964D+02 -0.123051D+02
      5  -0.596615D+00 -0.104976D+01  0.477939D+01  0.587915D+01  0.577034D-01
      6  -0.406413D+01  0.237125D+00  0.736511D+01  0.252916D+01  0.206624D+01
                21            22            23            24            25 
      1   0.447305D+00 -0.117009D+01  0.872555D+01  0.439952D+00  0.846753D+01
      2  -0.485673D+01  0.206065D+01 -0.134338D+02 -0.132887D+01 -0.589223D+01
      3   0.440943D+01 -0.890565D+00  0.470824D+01  0.888920D+00 -0.257530D+01
      4   0.226063D+01 -0.188918D+01  0.738625D+01 -0.115155D+01  0.393774D+01
      5  -0.136826D+02 -0.452853D+00 -0.138344D+01  0.187583D+01  0.121436D+01
      6   0.896009D+00 -0.122226D+01 -0.275074D+01 -0.657250D+01 -0.150743D+01
                26            27            28            29            30 
      1  -0.136600D+01 -0.721350D+01 -0.168307D+01 -0.209466D+01 -0.770441D+00
      2  -0.991320D-01 -0.305150D+01  0.651824D+01  0.817285D+00  0.896740D+00
      3   0.146513D+01  0.102650D+02 -0.483516D+01  0.127738D+01 -0.126299D+00
      4   0.416693D+01 -0.851615D+00  0.450306D+01  0.153268D+02 -0.602171D+00
      5  -0.115383D+01  0.689212D+01 -0.366213D+00  0.150213D+00  0.634531D+01
      6   0.143190D+01  0.156752D+01 -0.141886D+01 -0.299490D+00 -0.118078D+01
                31            32            33            34            35 
      1  -0.916926D+00 -0.261327D+02 -0.192034D+01  0.954029D-01  0.233870D+00
      2  -0.207663D+01  0.389471D+02  0.148607D+01  0.643196D+00  0.106736D+00
      3   0.299356D+01 -0.128144D+02  0.434261D+00 -0.738599D+00 -0.340606D+00
      4   0.109433D+02 -0.813193D+00  0.101656D+01 -0.133637D+01 -0.619293D+00
      5   0.456188D+00  0.136382D+01 -0.199418D+01  0.365256D+01  0.122046D+01
      6   0.731045D+00  0.412520D+01  0.140574D+02 -0.264646D+01  0.129317D+02
                36            37            38            39            40 
      1  -0.865124D+01 -0.180271D+01 -0.694872D+00 -0.123635D+02 -0.742937D+01
      2   0.466073D+01  0.387538D+00 -0.177344D+01  0.868108D+01  0.497951D+01
      3   0.399051D+01  0.141517D+01  0.246832D+01  0.368243D+01  0.244986D+01
      4   0.179551D+00 -0.767919D+00  0.674994D+01  0.260568D+01  0.110725D+02
      5   0.231957D+00 -0.167062D+02  0.308967D+01  0.284596D+01  0.304797D+01
      6   0.163254D+01  0.216262D+01 -0.105634D+01 -0.136724D+01 -0.966288D+00
                41            42            43            44            45 
      1   0.772387D+00  0.708219D+00 -0.243872D+02  0.485328D+01 -0.543121D+01
      2   0.711360D+01 -0.151728D+01  0.147457D+02 -0.131243D+01 -0.205795D+01
      3  -0.788599D+01  0.809060D+00  0.964145D+01 -0.354085D+01  0.748916D+01
      4  -0.760329D+01 -0.399940D+01  0.644051D+01 -0.564531D+01 -0.151570D+01
      5  -0.467480D+01 -0.246870D+01  0.181056D+01 -0.312105D+01 -0.106855D+02
      6   0.630154D+00  0.599504D+01  0.103292D+01  0.379842D+01  0.258240D+01
                46            47            48            49            50 
      1  -0.187471D+01  0.571048D+01 -0.646648D+00  0.263911D+01 -0.141810D+02
      2   0.321359D+01 -0.845990D+01 -0.151970D+01 -0.620844D+01  0.285697D+02
      3  -0.133888D+01  0.274943D+01  0.216634D+01  0.356934D+01 -0.143888D+02
      4   0.126849D+02  0.314866D+01  0.353028D+01  0.991187D+01 -0.142454D+02
      5  -0.372799D+01  0.235811D+01 -0.642193D+01  0.130072D+01 -0.686927D+00
      6   0.430995D+01 -0.208323D+01  0.136705D+02 -0.256197D+01  0.108477D+00
                51            52            53            54            55 
      1   0.782770D+00  0.837174D-01  0.960289D+00 -0.112137D+02  0.668212D+02
      2   0.706319D+00 -0.244421D+01  0.101855D+01  0.831553D+01 -0.404280D+02
      3  -0.148909D+01  0.236049D+01 -0.197884D+01  0.289814D+01 -0.263931D+02
      4  -0.219734D+01  0.466666D+01 -0.242609D+01  0.118655D+02  0.213318D+02
      5  -0.196292D+01 -0.650387D+01  0.258076D+01  0.200718D+01 -0.868056D+01
      6   0.756793D+01  0.147220D+02  0.762474D+01 -0.432983D+01 -0.234638D+01
                56            57            58            59            60 
      1   0.193310D+01 -0.406331D+01  0.232694D+01  0.389511D+01  0.538537D+00
      2   0.285292D+01  0.600446D+01  0.110381D+01  0.257471D+01 -0.182920D+00
      3  -0.478602D+01 -0.194116D+01 -0.343075D+01 -0.646983D+01 -0.355617D+00
      4   0.187411D+02 -0.208794D+01  0.166561D+02  0.616749D+01 -0.223073D+01
      5  -0.512546D+00  0.212986D+02 -0.250939D+00 -0.183813D+01  0.166760D+01
      6  -0.697905D+00  0.392529D+01 -0.142901D+01 -0.104491D+01  0.577225D+01
                61            62            63            64            65 
      1  -0.678955D+01  0.103297D+01  0.778033D+01 -0.147202D+00  0.525062D+00
      2   0.703708D+01 -0.678485D+00 -0.108337D+02 -0.411129D+01 -0.572672D+00
      3  -0.247524D+00 -0.354486D+00  0.305342D+01  0.425849D+01  0.476094D-01
      4  -0.246765D+01 -0.354768D+01  0.521378D+01  0.149240D+01  0.198410D+01
      5   0.195665D+02  0.201932D+01 -0.103263D+02 -0.175856D+01  0.700293D-02
      6   0.631676D+01  0.576947D+01 -0.372286D+01 -0.120414D+01 -0.857232D+00
                66            67            68            69            70 
      1   0.139026D+01 -0.291984D-01 -0.324279D+01  0.800489D+00  0.174176D+01
      2   0.189333D+01  0.577686D+00  0.547717D+00 -0.244750D+01  0.289059D+01
      3  -0.328359D+01 -0.548488D+00  0.269507D+01  0.164701D+01 -0.463235D+01
      4  -0.111239D+01  0.205956D+01  0.605495D+00 -0.305991D+00 -0.124286D+01
      5   0.679900D+01  0.155587D+00 -0.122222D+01 -0.164927D+00  0.474013D+01
      6   0.145737D+01 -0.995638D+00 -0.164525D+01  0.559351D+01  0.191402D+01
                71            72            73            74            75 
      1   0.230627D+01 -0.172397D+02  0.777564D+01  0.435488D+01 -0.142196D+01
      2  -0.135054D+01 -0.149667D+02  0.134478D+01  0.342571D+01  0.700328D-01
      3  -0.955721D+00  0.322063D+02 -0.912042D+01 -0.778059D+01  0.135193D+01
      4   0.740194D+00  0.136246D+01  0.139437D+02  0.156598D+02 -0.150790D+01
      5   0.473744D+00 -0.462038D+01 -0.867970D+00 -0.486131D-01  0.269460D+01
      6   0.501273D+01 -0.101939D+02 -0.520570D+00  0.192663D+00  0.160744D+01
                76            77            78            79            80 
      1   0.395458D+01 -0.582605D+01  0.364337D+00 -0.275751D+01  0.378182D+00
      2   0.554511D+01  0.230520D+02 -0.234146D+01  0.513441D+00 -0.303329D+01
      3  -0.949969D+01 -0.172260D+02  0.197712D+01  0.224407D+01  0.265510D+01
      4   0.179813D+02  0.302766D+02 -0.210161D+01 -0.320258D+01 -0.470196D+01
      5   0.570929D+00 -0.797908D+00  0.362892D+01  0.335054D+01  0.446660D+01
      6   0.774416D+00  0.674175D+00  0.461610D+01  0.246772D+01  0.532353D+01
                81            82            83            84            85 
      1  -0.220487D+01 -0.200823D+01  0.641675D+00  0.474049D+01 -0.164561D+01
      2   0.134419D+01 -0.124126D+01  0.437300D+00 -0.121885D+01  0.194342D+01
      3   0.860675D+00  0.324950D+01 -0.107897D+01 -0.352165D+01 -0.297819D+00
      4   0.516334D+01 -0.204074D+00  0.252300D+01  0.786463D+00  0.261235D+01
      5  -0.531476D+00  0.139291D+01  0.331535D-01  0.364861D+01 -0.156737D+00
      6  -0.849675D+00  0.955868D+00 -0.966799D+00 -0.177107D+01  0.250367D+00
                86            87            88            89            90 
      1  -0.240811D+01 -0.106583D+01  0.458094D+01 -0.302194D+01 -0.185441D+02
      2   0.451626D+00  0.214951D+01 -0.318557D+01  0.182760D+01 -0.143073D+02
      3   0.195648D+01 -0.108368D+01 -0.139537D+01  0.119435D+01  0.328514D+02
      4   0.185016D+01  0.243385D+01  0.145440D+01  0.261023D+01  0.227218D+01
      5   0.225184D+01 -0.912922D+00  0.587353D+01  0.132400D+01  0.193378D+02
      6   0.137147D+01  0.527191D+01  0.340829D+00  0.524160D+01  0.113510D+02
                91            92            93            94            95 
      1   0.350001D+01  0.910087D+01  0.146998D+01  0.204868D+01  0.130514D+01
      2  -0.345662D+01 -0.109348D+02 -0.748026D+00 -0.368112D+01 -0.144336D-01
      3  -0.433894D-01  0.183397D+01 -0.721953D+00  0.163244D+01 -0.129071D+01
      4  -0.112351D+02 -0.763416D+00  0.126009D+01  0.291211D+00 -0.474701D+01
      5   0.355742D+00  0.567824D+00 -0.150179D+01  0.640510D+00  0.714801D-01
      6   0.191752D+01 -0.998256D+00 -0.336065D+01 -0.240053D+00  0.194362D+00
                96            97            98            99           100 
      1   0.375941D+00  0.464454D-02 -0.569615D+00 -0.104913D+01  0.515646D+01
      2  -0.468094D-01 -0.104581D-01  0.581505D+00 -0.188627D+00 -0.233495D+01
      3  -0.329132D+00  0.581356D-02 -0.118904D-01  0.123776D+01 -0.282152D+01
      4  -0.228686D+00  0.166272D+01 -0.838660D-01 -0.119025D+01 -0.879925D+01
      5  -0.190715D+01  0.120437D+01 -0.518218D+00 -0.842561D+00 -0.534448D+01
      6   0.428686D+00 -0.142101D+01  0.219690D+01  0.883520D+00  0.512411D+01
               101           102           103           104           105 
      1  -0.117779D+01 -0.240889D+01 -0.138083D+01 -0.174281D+01  0.227029D-01
      2  -0.380787D+00  0.189883D+01  0.961121D+00  0.251866D+01  0.128946D+01
      3   0.155858D+01  0.510057D+00  0.419706D+00 -0.775844D+00 -0.131216D+01
      4   0.525789D+01  0.521098D+01  0.210569D+01 -0.539997D-01 -0.167927D+01
      5   0.148342D+01  0.775615D+01  0.129402D+00 -0.125383D+01 -0.126539D+00
      6  -0.209560D+01 -0.806144D+01 -0.125847D+01  0.531884D+00  0.151884D+01
               106           107           108           109           110 
      1  -0.310123D+01 -0.246860D+01  0.344156D+00  0.999233D+01 -0.242608D+01
      2   0.325127D+01  0.396422D+01 -0.543293D+01 -0.279422D+01 -0.142854D+01
      3  -0.150035D+00 -0.149562D+01  0.508877D+01 -0.719811D+01  0.385462D+01
      4   0.730907D+01 -0.394022D+01 -0.749541D+01 -0.185890D+02  0.105377D+02
      5   0.755639D+01 -0.214677D+01 -0.118082D+02  0.101584D+02 -0.400384D+01
      6  -0.852268D+01  0.356316D+01  0.155745D+02 -0.941875D+01  0.479176D+01
               111           112           113           114           115 
      1   0.375464D+01 -0.160249D+01 -0.241222D+01 -0.330307D+00  0.309878D+01
      2  -0.157453D+01 -0.932680D+00  0.489808D+01 -0.147721D+01 -0.193445D+01
      3  -0.218011D+01  0.253517D+01 -0.248587D+01  0.180751D+01 -0.116433D+01
      4  -0.872136D+01  0.705591D+01 -0.335562D+01  0.384029D+01 -0.111112D+02
      5   0.915760D+01 -0.165756D+01  0.215403D+01 -0.127393D+01  0.982766D+01
      6  -0.882731D+01  0.399650D+01 -0.209849D+01  0.412419D+01 -0.105193D+02
               116           117           118           119           120 
      1   0.111164D+01  0.118392D+01  0.418667D+02 -0.811198D+01  0.104121D+02
      2  -0.255903D+01 -0.325731D+01 -0.233306D+02  0.398016D+01 -0.593381D+01
      3   0.144739D+01  0.207338D+01 -0.185361D+02  0.413183D+01 -0.447824D+01
      4   0.556184D+01 -0.942764D+01 -0.914853D+01  0.653747D+01 -0.265600D+01
      5  -0.383370D+01  0.946807D+01  0.134313D+02 -0.276143D+01  0.925792D+01
      6   0.584497D+01 -0.111003D+02 -0.298383D+01  0.119618D+01 -0.124262D+01
               121           122           123           124           125 
      1  -0.489007D+01  0.386630D+01 -0.114635D+01  0.185501D+02 -0.408387D+01
      2   0.229503D+01 -0.118010D+01  0.355769D+00 -0.117150D+02  0.253716D+01
      3   0.259504D+01 -0.268621D+01  0.790579D+00 -0.683510D+01  0.154672D+01
      4   0.713625D+01 -0.345222D+01  0.237904D+01 -0.482264D+01  0.361470D+01
      5  -0.165184D+01  0.245175D+01 -0.118388D+01  0.132643D+02 -0.260630D+01
      6   0.152144D+01 -0.733369D+00  0.161706D+01 -0.239619D+01  0.163545D+01
               126 
      1   0.884138D+01
      2  -0.671061D+01
      3  -0.213078D+01
      4  -0.243419D+01
      5   0.818977D+01
      6  -0.159136D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:45:07 2021, MaxMem=  5368709120 cpu:            3308.7 elap:             414.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51194 -19.50203 -19.45440 -14.61500 -10.57926
 Alpha  occ. eigenvalues --  -10.51986 -10.50152  -1.23620  -1.19046  -1.14356
 Alpha  occ. eigenvalues --   -1.04158  -0.89137  -0.78836  -0.73972  -0.68631
 Alpha  occ. eigenvalues --   -0.68140  -0.62768  -0.59519  -0.58232  -0.56950
 Alpha  occ. eigenvalues --   -0.55470  -0.53118  -0.50847  -0.47989  -0.44278
 Alpha  occ. eigenvalues --   -0.43525  -0.40207  -0.37483
 Alpha virt. eigenvalues --    0.01947   0.05089   0.06080   0.06630   0.08677
 Alpha virt. eigenvalues --    0.09626   0.10300   0.10795   0.11677   0.12931
 Alpha virt. eigenvalues --    0.14852   0.15862   0.16320   0.17910   0.18424
 Alpha virt. eigenvalues --    0.19153   0.20659   0.22065   0.22876   0.23184
 Alpha virt. eigenvalues --    0.25273   0.26661   0.26979   0.28283   0.28970
 Alpha virt. eigenvalues --    0.29387   0.30147   0.30914   0.32692   0.33198
 Alpha virt. eigenvalues --    0.33945   0.34900   0.35677   0.36493   0.37317
 Alpha virt. eigenvalues --    0.37739   0.38740   0.39661   0.40412   0.41293
 Alpha virt. eigenvalues --    0.42217   0.42747   0.43796   0.44403   0.44969
 Alpha virt. eigenvalues --    0.45926   0.46527   0.48924   0.49442   0.50350
 Alpha virt. eigenvalues --    0.51138   0.53303   0.53775   0.54144   0.54580
 Alpha virt. eigenvalues --    0.56421   0.56928   0.58362   0.58874   0.59432
 Alpha virt. eigenvalues --    0.60194   0.61553   0.63192   0.63471   0.64646
 Alpha virt. eigenvalues --    0.66007   0.67017   0.69581   0.70206   0.71843
 Alpha virt. eigenvalues --    0.72250   0.72556   0.73234   0.74778   0.75620
 Alpha virt. eigenvalues --    0.77364   0.78253   0.78957   0.80109   0.82480
 Alpha virt. eigenvalues --    0.83597   0.85888   0.88832   0.90197   0.91496
 Alpha virt. eigenvalues --    0.94575   0.98355   0.99884   1.01777   1.04348
 Alpha virt. eigenvalues --    1.07563   1.08728   1.10557   1.13905   1.14387
 Alpha virt. eigenvalues --    1.15806   1.17822   1.20902   1.23244   1.25673
 Alpha virt. eigenvalues --    1.27832   1.29042   1.34295   1.37136   1.44817
 Alpha virt. eigenvalues --    1.47305   1.49120   1.51991   1.53913   1.56854
 Alpha virt. eigenvalues --    1.58085   1.61615   1.62056   1.65929   1.69038
 Alpha virt. eigenvalues --    1.72923   1.77176   1.78447   1.81481   1.82276
 Alpha virt. eigenvalues --    1.85777   1.87568   1.91112   1.93470   1.94612
 Alpha virt. eigenvalues --    1.95923   1.97177   1.99673   2.04237   2.05846
 Alpha virt. eigenvalues --    2.08621   2.10080   2.12131   2.12584   2.13403
 Alpha virt. eigenvalues --    2.15799   2.19021   2.22579   2.24763   2.27501
 Alpha virt. eigenvalues --    2.28279   2.30376   2.32658   2.36307   2.40153
 Alpha virt. eigenvalues --    2.42121   2.46551   2.47827   2.51386   2.53805
 Alpha virt. eigenvalues --    2.59672   2.62986   2.67671   2.76852   2.90560
 Alpha virt. eigenvalues --    2.93162   2.96704   2.98650   3.02889   3.03880
 Alpha virt. eigenvalues --    3.06903   3.09734   3.11879   3.13116   3.18240
 Alpha virt. eigenvalues --    3.19404   3.23732   3.28443   3.35227   3.44262
 Alpha virt. eigenvalues --    3.52661   3.54153   3.64889   3.66784   3.88210
 Alpha virt. eigenvalues --    3.95648   4.04343
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.473998   0.182402  -0.073135   0.004107   0.232105  -0.069060
     2  C    0.182402   5.907000  -0.226966  -0.073869  -0.046878  -0.128694
     3  C   -0.073135  -0.226966   5.522110   0.154037  -0.040949   0.012803
     4  O    0.004107  -0.073869   0.154037   7.906824  -0.055015   0.015763
     5  O    0.232105  -0.046878  -0.040949  -0.055015   8.012156  -0.016145
     6  N   -0.069060  -0.128694   0.012803   0.015763  -0.016145   7.808167
     7  O    0.009584  -0.071637   0.478837   0.009694   0.002211   0.001210
     8  H   -0.016676   0.329485   0.051927  -0.004453  -0.001328   0.015907
     9  H    0.359491   0.052477  -0.013438   0.006917  -0.082561  -0.081032
    10  H    0.314307   0.089550   0.020999   0.002310  -0.024471  -0.066888
    11  H    0.008281  -0.055037   0.106798   0.207047   0.084060   0.000505
    12  H   -0.020837   0.211858  -0.025654  -0.007069   0.004972  -0.218395
    13  H    0.028522   0.212679  -0.036282  -0.002582   0.001015  -0.277607
    14  H   -0.001343   0.015191  -0.010471   0.011264   0.318914   0.006511
               7          8          9         10         11         12
     1  C    0.009584  -0.016676   0.359491   0.314307   0.008281  -0.020837
     2  C   -0.071637   0.329485   0.052477   0.089550  -0.055037   0.211858
     3  C    0.478837   0.051927  -0.013438   0.020999   0.106798  -0.025654
     4  O    0.009694  -0.004453   0.006917   0.002310   0.207047  -0.007069
     5  O    0.002211  -0.001328  -0.082561  -0.024471   0.084060   0.004972
     6  N    0.001210   0.015907  -0.081032  -0.066888   0.000505  -0.218395
     7  O    7.828486  -0.008697   0.001569  -0.011252  -0.011820  -0.001044
     8  H   -0.008697   0.610624  -0.029372   0.008654   0.001058   0.003325
     9  H    0.001569  -0.029372   0.789535   0.001630   0.000530   0.001760
    10  H   -0.011252   0.008654   0.001630   0.695825  -0.008600   0.006258
    11  H   -0.011820   0.001058   0.000530  -0.008600   0.528173   0.000027
    12  H   -0.001044   0.003325   0.001760   0.006258   0.000027   0.849496
    13  H   -0.012098  -0.018828   0.010981   0.006450   0.000395   0.106807
    14  H    0.001475  -0.000566   0.005675  -0.022953  -0.016666  -0.000452
              13         14
     1  C    0.028522  -0.001343
     2  C    0.212679   0.015191
     3  C   -0.036282  -0.010471
     4  O   -0.002582   0.011264
     5  O    0.001015   0.318914
     6  N   -0.277607   0.006511
     7  O   -0.012098   0.001475
     8  H   -0.018828  -0.000566
     9  H    0.010981   0.005675
    10  H    0.006450  -0.022953
    11  H    0.000395  -0.016666
    12  H    0.106807  -0.000452
    13  H    0.908130  -0.000395
    14  H   -0.000395   0.501238
 Mulliken charges:
               1
     1  C    0.568256
     2  C   -0.397562
     3  C    0.079385
     4  O   -0.174977
     5  O   -0.388086
     6  N   -0.003045
     7  O   -0.216519
     8  H    0.058942
     9  H   -0.024164
    10  H   -0.011818
    11  H    0.155250
    12  H    0.088947
    13  H    0.072813
    14  H    0.192579
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.532273
     2  C   -0.338620
     3  C    0.079385
     4  O   -0.019727
     5  O   -0.195508
     6  N    0.158715
     7  O   -0.216519
 Electronic spatial extent (au):  <R**2>=            765.8242
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.1038    Y=              1.7693    Z=              0.3513  Tot=              4.4828
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.4397   YY=            -48.3550   ZZ=            -39.0408
   XY=             -5.5536   XZ=              5.1236   YZ=              0.1058
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.1721   YY=             -5.7432   ZZ=              3.5710
   XY=             -5.5536   XZ=              5.1236   YZ=              0.1058
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             38.3073  YYY=            -10.6818  ZZZ=              0.0549  XYY=              3.5237
  XXY=              6.2771  XXZ=              6.5556  XZZ=             -0.5060  YZZ=              1.5426
  YYZ=             -0.9503  XYZ=             -1.0878
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -433.5899 YYYY=           -434.6740 ZZZZ=            -68.2633 XXXY=            -34.5658
 XXXZ=             35.7773 YYYX=            -19.0759 YYYZ=              0.0608 ZZZX=              2.1108
 ZZZY=             -0.9290 XXYY=           -126.8176 XXZZ=            -88.1203 YYZZ=            -71.6209
 XXYZ=             -3.0040 YYXZ=              1.1058 ZZXY=             -6.1720
 N-N= 3.265886488201D+02 E-N=-1.585587778604D+03  KE= 3.943488997215D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:45:07 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54870977D+00 6.43249652D-01 1.30228296D-01
 Polarizability= 6.32193334D+01-2.58433716D+00 5.62968229D+01
                -7.22743658D-01 6.51250975D-01 4.40968707D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5383    0.5396       -1.0254   -1.0252
 2     -0.5383   -0.5396       -0.2638   -0.2630       -3.0124   -3.0088
 3      1.0254    1.0252        9.5823    9.5859        0.2639    0.2630
 4      0.2638    0.2630        0.0000    0.0000        1.0288    1.0252
 5     -6.5698   -6.5771       -1.0288   -1.0252        0.5374    0.5396
 6     -0.2639   -0.2630       -0.5374   -0.5396        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.6187   -1.6187       -3.0757   -3.0757
 2      0.7889    0.7889       -0.0000    0.0000       -3.0757   -3.0757
 3      0.7889    0.7889       -1.6187   -1.6187       -0.0000    0.0000
 4     -1.6187   -1.6187       -0.7889   -0.7889       -9.0263   -9.0263
 5      3.0757    3.0757       28.7576   28.7576        0.7889    0.7889
 6    -19.7313  -19.7313       -3.0757   -3.0757        1.6187    1.6187
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2853    0.0000       -2.2096   -2.1583        4.0470    4.1009
 2      2.1892    2.1583        0.8901    1.0519       12.1105   12.0351
 3     -4.0334   -4.1009      -38.5191  -38.3434       -1.2547   -1.0519
 4     -1.0395   -1.0519        0.0597    0.0000       -3.9987   -4.1009
 5     26.2949   26.3083        4.1798    4.1009       -2.2521   -2.1583
 6      1.1365    1.0519        2.1968    2.1583       -0.0043    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0810    0.0000       -6.7563   -6.7279       -2.7869   -3.1019
 2      6.4876    6.7279        2.9440    3.0729       -9.7100   -9.2504
 3      3.1327    3.1019       10.1852   10.4354       -2.8863   -3.0729
 4     -2.8115   -3.0729        0.0194    0.0000        2.9533    3.1019
 5     -0.5934   -1.1850       -3.3203   -3.1019       -7.2521   -6.7279
 6      2.8221    3.0729        6.8775    6.7279        0.1469    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.2474    4.3274       13.8396   13.8687       13.7210   13.8414
 2     -3.8649   -4.2339        7.6233    7.8071       13.6333   13.8414
 3     -4.0059   -4.2339       13.7260   13.8687       16.8462   17.0113
 4      5.8854    6.0616        8.2902    8.5613       -7.6151   -7.4896
 5      3.0401    3.1698       12.7032   13.0642       -8.2665   -8.5613
 6     -4.8426   -5.5746       -3.0354   -3.1698       -6.6209   -6.0616
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0010   -0.0009   -0.0004    2.9596    5.7483    8.8004
 Low frequencies ---   47.9717   96.8332  151.5223
 Diagonal vibrational polarizability:
       67.4860253      35.6629800     386.9730278
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     47.9669                96.8329               151.5216
 Red. masses --      1.7485                 1.9636                 2.6078
 Frc consts  --      0.0024                 0.0108                 0.0353
 IR Inten    --     30.8864                18.3910                 5.3327
 RamAct Fr= 1--      0.1759                 0.5257                 0.0956
  Dep-P Fr= 1--      0.7357                 0.7266                 0.7019
  Dep-U Fr= 1--      0.8477                 0.8416                 0.8249
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0001
 Beta2  Fr= 1--      0.0248                 0.0737                 0.0131
 AlphaG Fr= 1--     -0.0011                -0.0019                -0.0002
 Gamma2 Fr= 1--      0.1900                -0.0626                -0.0089
 Delta2 Fr= 1--      0.1312                 0.0594                -0.0177
 Raman1 Fr= 1--       0.703                  2.103                  0.382
 ROA1   Fr= 1--      22.432                 -4.104                 -1.420
 CID1   Fr= 1--      31.888                 -1.952                 -3.714
 Raman2 Fr= 1--       0.298                  0.885                  0.158
 ROA2   Fr= 1--       3.510                 -1.977                 -0.071
 CID2   Fr= 1--      11.771                 -2.234                 -0.452
 Raman3 Fr= 1--       0.596                  1.770                  0.315
 ROA3   Fr= 1--      22.432                 -4.104                 -1.420
 CID3   Fr= 1--      37.618                 -2.319                 -4.502
 RC180  Fr= 1--       0.695                  0.683                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03     0.02  -0.03  -0.01    -0.06  -0.12   0.20
     2   6     0.00  -0.00  -0.02    -0.00   0.01   0.02     0.03  -0.02   0.04
     3   6     0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.02   0.01   0.02
     4   8    -0.02   0.00  -0.13     0.03   0.02   0.16    -0.02  -0.00   0.03
     5   8    -0.00  -0.01   0.05     0.01  -0.00  -0.10     0.05   0.12  -0.15
     6   7    -0.02  -0.01  -0.04    -0.01  -0.01   0.10     0.02   0.01  -0.14
     7   8     0.05   0.01   0.16    -0.04   0.00  -0.12    -0.01   0.02   0.03
     8   1     0.05  -0.02  -0.01    -0.02   0.04   0.02     0.19  -0.07   0.08
     9   1    -0.01  -0.01   0.05     0.01  -0.02   0.02    -0.13   0.01   0.58
    10   1    -0.06  -0.01   0.02     0.06  -0.08  -0.01    -0.12  -0.54   0.17
    11   1    -0.02   0.00  -0.15     0.03   0.03   0.15    -0.04  -0.02  -0.08
    12   1    -0.53  -0.26  -0.35    -0.54  -0.33  -0.23     0.08   0.18  -0.09
    13   1     0.40   0.33  -0.41     0.42   0.41  -0.26    -0.03  -0.15  -0.12
    14   1    -0.06  -0.06   0.12     0.07   0.02  -0.18     0.07   0.02  -0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.6581               292.3915               312.4592
 Red. masses --      2.7899                 1.7026                 3.9498
 Frc consts  --      0.1143                 0.0858                 0.2272
 IR Inten    --      6.9488                89.5744                26.9409
 RamAct Fr= 1--      0.3274                 0.4217                 1.0871
  Dep-P Fr= 1--      0.5932                 0.7367                 0.2686
  Dep-U Fr= 1--      0.7447                 0.8484                 0.4235
 Alpha2 Fr= 1--      0.0010                 0.0001                 0.0122
 Beta2  Fr= 1--      0.0406                 0.0596                 0.0767
 AlphaG Fr= 1--     -0.0017                 0.0002                -0.0030
 Gamma2 Fr= 1--      0.1212                 0.2002                 0.0330
 Delta2 Fr= 1--      0.0459                 0.0511                -0.0166
 Raman1 Fr= 1--       1.310                  1.687                  4.349
 ROA1   Fr= 1--      13.106                 20.858                  2.633
 CID1   Fr= 1--      10.008                 12.367                  0.605
 Raman2 Fr= 1--       0.488                  0.715                  0.921
 ROA2   Fr= 1--       2.542                  4.397                  0.924
 CID2   Fr= 1--       5.213                  6.146                  1.004
 Raman3 Fr= 1--       0.975                  1.431                  1.841
 ROA3   Fr= 1--      13.106                 20.858                  2.633
 CID3   Fr= 1--      13.439                 14.577                  1.430
 RC180  Fr= 1--       0.489                  0.697                 -0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.07   0.02    -0.00  -0.01  -0.05    -0.02  -0.02   0.03
     2   6    -0.05   0.07  -0.04    -0.02  -0.04  -0.04     0.07   0.03  -0.11
     3   6     0.03   0.03  -0.02    -0.05  -0.00  -0.01     0.12   0.04  -0.10
     4   8     0.18   0.12   0.04    -0.04  -0.00   0.02    -0.01  -0.04   0.07
     5   8    -0.14  -0.12  -0.04     0.16   0.09  -0.02    -0.05  -0.03  -0.02
     6   7    -0.00   0.10  -0.03     0.02  -0.02   0.04    -0.20  -0.17   0.06
     7   8     0.04  -0.09   0.02    -0.05   0.00   0.01     0.15   0.26  -0.00
     8   1    -0.02   0.10  -0.03    -0.07  -0.02  -0.05     0.12   0.18  -0.10
     9   1     0.05  -0.11   0.14    -0.08   0.04  -0.01     0.06  -0.02   0.21
    10   1    -0.13  -0.18   0.00    -0.03  -0.03  -0.06    -0.15  -0.16   0.00
    11   1     0.16   0.25  -0.01    -0.06   0.02  -0.09    -0.01  -0.12  -0.03
    12   1     0.07   0.15   0.02     0.04  -0.06   0.04    -0.09  -0.44   0.10
    13   1    -0.05   0.08   0.02     0.02   0.06   0.06    -0.36  -0.39   0.18
    14   1    -0.45  -0.59   0.32    -0.42  -0.49   0.70    -0.16  -0.21   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.5246               417.6098               535.9993
 Red. masses --      2.5809                 4.9865                 5.0811
 Frc consts  --      0.1837                 0.5124                 0.8601
 IR Inten    --     26.6146                 3.5388                 2.9888
 RamAct Fr= 1--      0.3589                 2.7922                 4.9920
  Dep-P Fr= 1--      0.6215                 0.7459                 0.1026
  Dep-U Fr= 1--      0.7666                 0.8545                 0.1861
 Alpha2 Fr= 1--      0.0008                 0.0002                 0.0869
 Beta2  Fr= 1--      0.0459                 0.3977                 0.1548
 AlphaG Fr= 1--     -0.0072                -0.0000                -0.0202
 Gamma2 Fr= 1--      0.0174                 0.2286                 0.1807
 Delta2 Fr= 1--     -0.0190                -0.0449                -0.0003
 Raman1 Fr= 1--       1.436                 11.169                 19.968
 ROA1   Fr= 1--       1.060                 20.505                 17.342
 CID1   Fr= 1--       0.739                  1.836                  0.868
 Raman2 Fr= 1--       0.550                  4.772                  1.858
 ROA2   Fr= 1--       0.568                  5.844                  4.340
 CID2   Fr= 1--       1.033                  1.225                  2.336
 Raman3 Fr= 1--       1.100                  9.544                  3.715
 ROA3   Fr= 1--       1.060                 20.505                 17.342
 CID3   Fr= 1--       0.963                  2.149                  4.668
 RC180  Fr= 1--       0.533                  0.709                 -0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.10   0.05     0.09  -0.16  -0.03     0.11  -0.04  -0.00
     2   6     0.05   0.02   0.21    -0.06  -0.03   0.03    -0.01   0.25  -0.05
     3   6     0.03  -0.00   0.11    -0.10   0.11   0.04     0.03   0.00  -0.09
     4   8    -0.03  -0.02  -0.05     0.08   0.27  -0.06    -0.14  -0.15   0.08
     5   8    -0.05  -0.02  -0.08     0.24  -0.15   0.05     0.16  -0.09   0.02
     6   7    -0.11  -0.02  -0.08    -0.19  -0.09  -0.04    -0.20   0.26  -0.02
     7   8    -0.02   0.00  -0.07    -0.11   0.02   0.02     0.07  -0.15   0.02
     8   1     0.09  -0.10   0.22    -0.11  -0.08   0.02    -0.04   0.42  -0.05
     9   1     0.18   0.04  -0.16     0.07  -0.16  -0.05     0.26  -0.07   0.18
    10   1     0.40   0.20   0.08     0.13  -0.15  -0.03     0.02  -0.18  -0.03
    11   1    -0.03   0.01  -0.03     0.09   0.36   0.05    -0.12  -0.40  -0.06
    12   1    -0.19   0.11  -0.12    -0.14  -0.10  -0.02    -0.18   0.25  -0.00
    13   1    -0.05  -0.28  -0.19    -0.27  -0.36  -0.02    -0.23   0.10  -0.03
    14   1    -0.27  -0.50   0.16     0.41   0.25  -0.13     0.16   0.05   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    612.5585               735.1443               762.0469
 Red. masses --      4.4816                 3.7228                 1.2610
 Frc consts  --      0.9908                 1.1854                 0.4315
 IR Inten    --     23.0235                12.5882                75.9020
 RamAct Fr= 1--      2.3362                 2.3135                 3.0177
  Dep-P Fr= 1--      0.7304                 0.0555                 0.1730
  Dep-U Fr= 1--      0.8442                 0.1052                 0.2950
 Alpha2 Fr= 1--      0.0008                 0.0451                 0.0440
 Beta2  Fr= 1--      0.3287                 0.0405                 0.1483
 AlphaG Fr= 1--      0.0035                -0.0048                 0.0822
 Gamma2 Fr= 1--     -1.0241                -0.1270                -0.0816
 Delta2 Fr= 1--      0.0486                -0.1470                 0.3192
 Raman1 Fr= 1--       9.345                  9.254                 12.071
 ROA1   Fr= 1--     -96.757                -16.895                  2.381
 CID1   Fr= 1--     -10.354                 -1.826                  0.197
 Raman2 Fr= 1--       3.944                  0.487                  1.780
 ROA2   Fr= 1--     -24.967                 -1.872                 -4.512
 CID2   Fr= 1--      -6.330                 -3.848                 -2.535
 Raman3 Fr= 1--       7.889                  0.973                  3.560
 ROA3   Fr= 1--     -96.757                -16.895                  2.381
 CID3   Fr= 1--     -12.265                -17.360                  0.669
 RC180  Fr= 1--       0.688                 -0.790                 -0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.11  -0.09    -0.06  -0.02  -0.08     0.03   0.03   0.02
     2   6    -0.20  -0.07   0.13     0.07   0.04  -0.08     0.02   0.03  -0.04
     3   6     0.11  -0.07   0.16     0.16   0.14   0.30    -0.05  -0.05  -0.02
     4   8     0.12  -0.14  -0.08    -0.15   0.08  -0.06     0.02  -0.04  -0.05
     5   8     0.08  -0.03   0.00    -0.01   0.01  -0.00     0.01  -0.00  -0.02
     6   7    -0.06   0.14  -0.00     0.02  -0.03   0.01    -0.00   0.01   0.00
     7   8     0.07   0.21  -0.09     0.07  -0.13  -0.09    -0.04   0.02   0.04
     8   1    -0.42  -0.17   0.09    -0.22  -0.23  -0.13     0.05   0.04  -0.03
     9   1    -0.23  -0.08  -0.09     0.06   0.02   0.30     0.08   0.02   0.10
    10   1    -0.10  -0.12  -0.08    -0.38  -0.25  -0.13    -0.00  -0.04   0.01
    11   1     0.16  -0.10   0.20    -0.03  -0.20   0.44     0.16   0.12   0.95
    12   1    -0.10   0.46   0.00    -0.00  -0.27  -0.03     0.01  -0.06   0.00
    13   1     0.04   0.20  -0.08    -0.03  -0.08   0.05    -0.03   0.01   0.02
    14   1    -0.01   0.19   0.17    -0.08   0.08   0.11    -0.02  -0.08   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    813.5457               898.5335               991.0884
 Red. masses --      2.7960                 1.5223                 2.1300
 Frc consts  --      1.0903                 0.7241                 1.2327
 IR Inten    --     12.6564               148.5052                 7.5063
 RamAct Fr= 1--      5.3172                 0.9806                 6.1116
  Dep-P Fr= 1--      0.0670                 0.2026                 0.3430
  Dep-U Fr= 1--      0.1255                 0.3370                 0.5108
 Alpha2 Fr= 1--      0.1009                 0.0132                 0.0549
 Beta2  Fr= 1--      0.1112                 0.0551                 0.5203
 AlphaG Fr= 1--     -0.0899                -0.0162                -0.0336
 Gamma2 Fr= 1--      0.0303                 0.0280                -0.8203
 Delta2 Fr= 1--      0.1661                 0.1239                -0.2165
 Raman1 Fr= 1--      21.269                  3.922                 24.447
 ROA1   Fr= 1--       8.224                  6.656                -85.680
 CID1   Fr= 1--       0.387                  1.697                 -3.505
 Raman2 Fr= 1--       1.335                  0.661                  6.243
 ROA2   Fr= 1--      -0.602                 -0.319                -17.957
 CID2   Fr= 1--      -0.451                 -0.482                 -2.876
 Raman3 Fr= 1--       2.670                  1.322                 12.487
 ROA3   Fr= 1--       8.224                  6.656                -85.680
 CID3   Fr= 1--       3.080                  5.037                 -6.862
 RC180  Fr= 1--      -0.749                 -0.326                  0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00     0.06   0.05   0.03    -0.01   0.07   0.17
     2   6     0.07   0.08  -0.14    -0.07   0.03  -0.03    -0.10  -0.12  -0.13
     3   6    -0.06  -0.10   0.19     0.01   0.01   0.01     0.04   0.00   0.05
     4   8     0.12  -0.09  -0.02    -0.01   0.01  -0.00    -0.03   0.02  -0.00
     5   8    -0.01  -0.01   0.03     0.01  -0.01   0.00     0.05  -0.04  -0.03
     6   7    -0.01   0.04   0.00    -0.05  -0.16  -0.02    -0.03   0.09  -0.00
     7   8    -0.15   0.06  -0.02     0.02   0.00  -0.01     0.03  -0.00  -0.03
     8   1    -0.13  -0.04  -0.17    -0.12   0.06  -0.04     0.13  -0.34  -0.07
     9   1     0.31   0.05   0.38     0.13   0.04   0.15    -0.13   0.03  -0.21
    10   1    -0.25  -0.18  -0.06    -0.02  -0.06   0.02     0.20   0.32   0.21
    11   1    -0.01   0.17  -0.59    -0.01  -0.00   0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.25  -0.01     0.28   0.53   0.19     0.08  -0.34   0.02
    13   1    -0.09   0.04   0.08     0.17   0.67  -0.04    -0.23   0.32   0.23
    14   1     0.07  -0.06  -0.11     0.05  -0.09  -0.07     0.15  -0.34  -0.22
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1028.3208              1056.6756              1155.0227
 Red. masses --      4.3433                 2.0606                 1.4496
 Frc consts  --      2.7060                 1.3556                 1.1394
 IR Inten    --    105.1666                 8.3834                 4.1778
 RamAct Fr= 1--      1.7026                 0.7968                 0.2065
  Dep-P Fr= 1--      0.5139                 0.7467                 0.6569
  Dep-U Fr= 1--      0.6789                 0.8550                 0.7929
 Alpha2 Fr= 1--      0.0079                 0.0000                 0.0003
 Beta2  Fr= 1--      0.1927                 0.1135                 0.0273
 AlphaG Fr= 1--     -0.0052                -0.0005                -0.0008
 Gamma2 Fr= 1--     -0.2008                -0.5173                -0.0434
 Delta2 Fr= 1--      0.0114                -0.1872                -0.0972
 Raman1 Fr= 1--       6.810                  3.187                  0.826
 ROA1   Fr= 1--     -18.908                -55.648                 -7.272
 CID1   Fr= 1--      -2.776                -17.460                 -8.803
 Raman2 Fr= 1--       2.312                  1.362                  0.328
 ROA2   Fr= 1--      -4.910                -10.917                 -0.264
 CID2   Fr= 1--      -2.124                 -8.012                 -0.805
 Raman3 Fr= 1--       4.624                  2.725                  0.655
 ROA3   Fr= 1--     -18.908                -55.648                 -7.272
 CID3   Fr= 1--      -4.089                -20.422                -11.101
 RC180  Fr= 1--       0.358                  0.710                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.31  -0.20  -0.06     0.01   0.20  -0.02     0.01   0.04  -0.07
     2   6    -0.09  -0.16  -0.04    -0.06  -0.09   0.07     0.10  -0.09   0.03
     3   6     0.01   0.02  -0.06     0.00  -0.06  -0.09    -0.01  -0.04  -0.02
     4   8    -0.01   0.02   0.00    -0.04   0.05   0.02    -0.01   0.03   0.00
     5   8    -0.15   0.21   0.11     0.04  -0.08  -0.01    -0.02  -0.03  -0.01
     6   7    -0.04   0.10   0.01     0.04   0.03   0.01    -0.08   0.05   0.00
     7   8     0.05   0.00  -0.00     0.05   0.00   0.01     0.00   0.00   0.00
     8   1    -0.50  -0.36  -0.12    -0.44  -0.15  -0.01     0.44  -0.36   0.10
     9   1     0.22  -0.08   0.17     0.13   0.26   0.49    -0.03   0.12   0.17
    10   1     0.13  -0.28  -0.07    -0.37  -0.25  -0.10     0.14  -0.32  -0.08
    11   1     0.00  -0.01   0.12    -0.04   0.09  -0.03    -0.01   0.02  -0.02
    12   1    -0.09  -0.02  -0.02    -0.14   0.03  -0.08     0.11  -0.03   0.09
    13   1    -0.12   0.03   0.06     0.03  -0.29  -0.05    -0.11   0.42   0.11
    14   1     0.01  -0.27  -0.20     0.10  -0.13  -0.09    -0.16   0.39   0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1178.5771              1215.5463              1237.8635
 Red. masses --      1.9319                 2.5279                 1.1317
 Frc consts  --      1.5811                 2.2006                 1.0217
 IR Inten    --     53.0482                46.6451                 2.3093
 RamAct Fr= 1--      1.0454                 5.8877                 2.7478
  Dep-P Fr= 1--      0.6577                 0.4610                 0.6948
  Dep-U Fr= 1--      0.7935                 0.6311                 0.8199
 Alpha2 Fr= 1--      0.0017                 0.0345                 0.0026
 Beta2  Fr= 1--      0.1383                 0.6193                 0.3755
 AlphaG Fr= 1--      0.0131                 0.0383                -0.0056
 Gamma2 Fr= 1--      0.2742                 0.0941                 0.2223
 Delta2 Fr= 1--     -0.3574                 0.7122                 0.3812
 Raman1 Fr= 1--       4.182                 23.551                 10.991
 ROA1   Fr= 1--      14.888                 31.821                 33.534
 CID1   Fr= 1--       3.560                  1.351                  3.051
 Raman2 Fr= 1--       1.659                  7.431                  4.506
 ROA2   Fr= 1--       9.440                 -3.440                  2.285
 CID2   Fr= 1--       5.690                 -0.463                  0.507
 Raman3 Fr= 1--       3.318                 14.863                  9.012
 ROA3   Fr= 1--      14.888                 31.821                 33.534
 CID3   Fr= 1--       4.487                  2.141                  3.721
 RC180  Fr= 1--       0.587                  0.262                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.01    -0.02   0.03  -0.03    -0.03  -0.02   0.04
     2   6     0.16  -0.11  -0.06     0.11  -0.05   0.04     0.04   0.00   0.03
     3   6     0.01  -0.11   0.04    -0.05   0.27  -0.06    -0.01  -0.02  -0.04
     4   8    -0.04   0.06  -0.00     0.09  -0.11  -0.01    -0.00   0.01   0.00
     5   8     0.01   0.03   0.01     0.01  -0.02   0.01     0.01   0.02  -0.04
     6   7    -0.08   0.05   0.06    -0.05   0.01   0.03    -0.01   0.00  -0.00
     7   8     0.01   0.00  -0.01    -0.06  -0.02   0.03     0.01   0.00   0.01
     8   1     0.13   0.31  -0.08    -0.04  -0.45   0.02    -0.19  -0.34  -0.00
     9   1    -0.12  -0.03  -0.13    -0.29   0.16   0.01     0.61  -0.37  -0.08
    10   1    -0.34   0.21  -0.04    -0.42   0.08  -0.08    -0.35   0.37   0.04
    11   1    -0.06   0.21   0.02     0.12  -0.35   0.02     0.00  -0.01  -0.00
    12   1    -0.13   0.57   0.07     0.00   0.16   0.07     0.03  -0.01   0.02
    13   1     0.12  -0.06  -0.16     0.03   0.06  -0.03    -0.02   0.08   0.02
    14   1     0.13  -0.33  -0.23     0.13  -0.36  -0.22    -0.08   0.19   0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1283.5480              1337.9390              1396.0612
 Red. masses --      1.6478                 1.3218                 1.2687
 Frc consts  --      1.5995                 1.3941                 1.4569
 IR Inten    --     31.7659                 3.2232                29.9582
 RamAct Fr= 1--      1.6153                 7.3970                 2.0098
  Dep-P Fr= 1--      0.2359                 0.7065                 0.6048
  Dep-U Fr= 1--      0.3817                 0.8280                 0.7537
 Alpha2 Fr= 1--      0.0199                 0.0056                 0.0054
 Beta2  Fr= 1--      0.1028                 1.0208                 0.2525
 AlphaG Fr= 1--     -0.0006                 0.0003                -0.0096
 Gamma2 Fr= 1--     -0.1066                 0.2078                -0.0978
 Delta2 Fr= 1--     -0.0455                 0.1948                -0.4497
 Raman1 Fr= 1--       6.461                 29.588                  8.039
 ROA1   Fr= 1--     -11.694                 26.182                -23.779
 CID1   Fr= 1--      -1.810                  0.885                 -2.958
 Raman2 Fr= 1--       1.233                 12.249                  3.030
 ROA2   Fr= 1--      -2.195                  3.428                  1.251
 CID2   Fr= 1--      -1.780                  0.280                  0.413
 Raman3 Fr= 1--       2.466                 24.499                  6.059
 ROA3   Fr= 1--     -11.694                 26.182                -23.779
 CID3   Fr= 1--      -4.741                  1.069                 -3.924
 RC180  Fr= 1--      -0.237                  0.656                  0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.09     0.02   0.02  -0.05     0.05  -0.01   0.02
     2   6    -0.00  -0.12  -0.11    -0.13  -0.07   0.01     0.04  -0.07   0.07
     3   6    -0.00   0.09   0.02     0.01   0.04   0.03     0.01  -0.01   0.00
     4   8     0.03  -0.02  -0.01     0.01  -0.00  -0.01     0.01   0.03  -0.00
     5   8    -0.02  -0.03  -0.04     0.00   0.02   0.01    -0.01  -0.01  -0.02
     6   7    -0.00   0.01   0.05     0.02   0.00   0.01    -0.00   0.01  -0.07
     7   8    -0.03  -0.01   0.00    -0.02  -0.00  -0.00    -0.03   0.00   0.01
     8   1    -0.19   0.24  -0.17     0.72   0.29   0.17    -0.27   0.59  -0.01
     9   1     0.12  -0.01   0.02     0.40  -0.14   0.08    -0.18   0.09  -0.01
    10   1     0.28  -0.01   0.12    -0.30   0.00  -0.09    -0.31   0.16  -0.01
    11   1     0.06  -0.24  -0.02     0.05  -0.20   0.00     0.07  -0.32   0.02
    12   1    -0.18   0.37  -0.01    -0.06   0.02  -0.03     0.12  -0.32  -0.03
    13   1     0.12  -0.27  -0.13    -0.02  -0.07   0.02    -0.17   0.31   0.15
    14   1    -0.22   0.47   0.33     0.04  -0.09  -0.06    -0.06   0.10   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1426.5506              1439.6075              1522.2237
 Red. masses --      1.3598                 1.5048                 1.0836
 Frc consts  --      1.6304                 1.8375                 1.4793
 IR Inten    --    260.8110                 6.9666                 2.6525
 RamAct Fr= 1--      1.8585                 1.8964                 5.1912
  Dep-P Fr= 1--      0.0845                 0.5697                 0.7340
  Dep-U Fr= 1--      0.1559                 0.7258                 0.8466
 Alpha2 Fr= 1--      0.0338                 0.0065                 0.0014
 Beta2  Fr= 1--      0.0483                 0.2294                 0.7325
 AlphaG Fr= 1--     -0.0016                 0.0032                 0.0056
 Gamma2 Fr= 1--      0.3602                 0.0432                -0.0386
 Delta2 Fr= 1--      0.0613                -0.4854                -0.1466
 Raman1 Fr= 1--       7.434                  7.586                 20.765
 ROA1   Fr= 1--      36.542                -11.389                 -8.398
 CID1   Fr= 1--       4.915                 -1.501                 -0.404
 Raman2 Fr= 1--       0.579                  2.753                  8.790
 ROA2   Fr= 1--       8.155                  4.919                  0.246
 CID2   Fr= 1--      14.072                  1.787                  0.028
 Raman3 Fr= 1--       1.159                  5.506                 17.580
 ROA3   Fr= 1--      36.542                -11.389                 -8.398
 CID3   Fr= 1--      31.531                 -2.069                 -0.478
 RC180  Fr= 1--      -0.688                  0.452                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.02    -0.14   0.04  -0.04    -0.02  -0.05  -0.06
     2   6    -0.01  -0.05   0.02     0.07  -0.08   0.03    -0.01  -0.01  -0.00
     3   6    -0.02   0.10   0.01    -0.01   0.06  -0.00    -0.01   0.01   0.00
     4   8    -0.02  -0.09   0.01     0.00  -0.03   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.01  -0.02     0.01   0.03   0.04     0.00  -0.01  -0.01
     6   7     0.00   0.00  -0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   8     0.05  -0.02  -0.01    -0.00  -0.01   0.00     0.01  -0.00  -0.00
     8   1     0.02   0.19   0.02    -0.23   0.33  -0.04     0.04   0.01   0.01
     9   1    -0.05   0.01  -0.06     0.47  -0.24   0.07    -0.03   0.16   0.69
    10   1    -0.21   0.04  -0.01     0.53  -0.26   0.02     0.24   0.65   0.05
    11   1    -0.19   0.89  -0.01    -0.01   0.09  -0.00    -0.01   0.05  -0.00
    12   1     0.01  -0.07  -0.01     0.07  -0.14   0.00     0.00   0.01   0.00
    13   1    -0.05   0.06   0.04    -0.05   0.16   0.05     0.00  -0.00  -0.00
    14   1    -0.05   0.18   0.09     0.12  -0.25  -0.17     0.00   0.01  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1681.7202              1830.5424              3013.8551
 Red. masses --      1.0843                 9.2152                 1.0662
 Frc consts  --      1.8068                18.1935                 5.7060
 IR Inten    --     23.5558               315.4206                22.1728
 RamAct Fr= 1--      2.3171                15.5119               154.3760
  Dep-P Fr= 1--      0.5707                 0.2714                 0.1041
  Dep-U Fr= 1--      0.7266                 0.4270                 0.1886
 Alpha2 Fr= 1--      0.0078                 0.1730                 2.6757
 Beta2  Fr= 1--      0.2806                 1.1039                 4.8527
 AlphaG Fr= 1--     -0.0018                -0.1211                 0.1583
 Gamma2 Fr= 1--     -0.1418                -0.3808                -2.2010
 Delta2 Fr= 1--      0.1012                 0.0039                -2.6436
 Raman1 Fr= 1--       9.268                 62.048                617.504
 ROA1   Fr= 1--     -10.371                -36.430               -295.889
 CID1   Fr= 1--      -1.119                 -0.587                 -0.479
 Raman2 Fr= 1--       3.367                 13.246                 58.232
 ROA2   Fr= 1--      -4.212                 -9.170                -31.675
 CID2   Fr= 1--      -1.251                 -0.692                 -0.544
 Raman3 Fr= 1--       6.735                 26.493                116.464
 ROA3   Fr= 1--     -10.371                -36.430               -295.889
 CID3   Fr= 1--      -1.540                 -1.375                 -2.541
 RC180  Fr= 1--       0.453                 -0.146                 -0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.07
     2   6    -0.02  -0.02   0.00    -0.03  -0.01   0.01    -0.00   0.00   0.03
     3   6    -0.00   0.00   0.00     0.67   0.01  -0.18     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.05  -0.03   0.01     0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   7    -0.06   0.04   0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.42  -0.01   0.11    -0.00  -0.00   0.00
     8   1    -0.00   0.04   0.01    -0.04  -0.09  -0.00     0.07  -0.01  -0.31
     9   1     0.01   0.00   0.00    -0.00  -0.02   0.02     0.13   0.27  -0.09
    10   1    -0.02   0.00   0.00     0.03   0.03   0.00    -0.12  -0.08   0.88
    11   1     0.00  -0.01   0.00    -0.09   0.54  -0.00    -0.01   0.00   0.00
    12   1     0.57  -0.31   0.30     0.04   0.03   0.03    -0.00  -0.00   0.00
    13   1     0.44  -0.17  -0.50     0.03   0.03  -0.03     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01     0.01   0.03   0.01     0.00  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3036.4771              3086.1292              3493.2685
 Red. masses --      1.0800                 1.1019                 1.0520
 Frc consts  --      5.8668                 6.1836                 7.5635
 IR Inten    --     22.2558                23.0926                 5.6710
 RamAct Fr= 1--     34.3545                78.2167                78.5422
  Dep-P Fr= 1--      0.3994                 0.3709                 0.0663
  Dep-U Fr= 1--      0.5708                 0.5411                 0.1244
 Alpha2 Fr= 1--      0.2550                 0.6409                 1.4921
 Beta2  Fr= 1--      3.2683                 7.0540                 1.6282
 AlphaG Fr= 1--      0.0866                 0.2553                -0.0912
 Gamma2 Fr= 1--      0.0034                 3.2764                -0.7017
 Delta2 Fr= 1--     -2.3063                 3.5858                -0.7270
 Raman1 Fr= 1--     137.418                312.867                314.169
 ROA1   Fr= 1--     -73.475                429.278                -90.631
 CID1   Fr= 1--      -0.535                  1.372                 -0.288
 Raman2 Fr= 1--      39.220                 84.648                 19.538
 ROA2   Fr= 1--      18.532                 49.947                -11.025
 CID2   Fr= 1--       0.473                  0.590                 -0.564
 Raman3 Fr= 1--      78.439                169.296                 39.077
 ROA3   Fr= 1--     -73.475                429.278                -90.631
 CID3   Fr= 1--      -0.937                  2.536                 -2.319
 RC180  Fr= 1--       0.142                  0.082                 -0.751
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.04  -0.07   0.05    -0.00  -0.00  -0.00
     2   6     0.02  -0.00  -0.08    -0.00  -0.00   0.01     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.05  -0.00  -0.03
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.18   0.02   0.92     0.02  -0.00  -0.12    -0.00   0.00   0.01
     9   1     0.10   0.20  -0.06     0.40   0.81  -0.21     0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.26     0.03   0.02  -0.35     0.00  -0.00   0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02  -0.00   0.00
    12   1     0.01   0.01  -0.02     0.00  -0.00   0.00    -0.39  -0.06   0.76
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.34   0.08  -0.38
    14   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3516.6006              3562.2513              3820.1123
 Red. masses --      1.0670                 1.0892                 1.0667
 Frc consts  --      7.7740                 8.1431                 9.1715
 IR Inten    --    357.2883                 8.5247                56.3317
 RamAct Fr= 1--     54.6141                47.3635                97.5287
  Dep-P Fr= 1--      0.1465                 0.5384                 0.2167
  Dep-U Fr= 1--      0.2556                 0.6999                 0.3563
 Alpha2 Fr= 1--      0.8517                 0.1930                 1.2665
 Beta2  Fr= 1--      2.3266                 5.5252                 5.7911
 AlphaG Fr= 1--      0.0772                 0.3230                -0.1211
 Gamma2 Fr= 1--      1.6783                -1.3327                 0.5987
 Delta2 Fr= 1--     -0.5092                 0.0879                 1.3233
 Raman1 Fr= 1--     218.456                189.454                390.115
 ROA1   Fr= 1--     144.825               -125.123                 99.821
 CID1   Fr= 1--       0.663                 -0.660                  0.256
 Raman2 Fr= 1--      27.920                 66.303                 69.493
 ROA2   Fr= 1--      44.354                -32.687                  3.782
 CID2   Fr= 1--       1.589                 -0.493                  0.054
 Raman3 Fr= 1--      55.840                132.606                138.986
 ROA3   Fr= 1--     144.825               -125.123                 99.821
 CID3   Fr= 1--       2.594                 -0.944                  0.718
 RC180  Fr= 1--      -0.489                  0.400                 -0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   8    -0.06  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.05   0.01  -0.04
     6   7     0.00  -0.00  -0.00    -0.02   0.01  -0.07     0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
     9   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.97   0.16  -0.16    -0.02  -0.00   0.00    -0.02  -0.00   0.00
    12   1    -0.01  -0.00   0.02    -0.26  -0.05   0.44    -0.00   0.00   0.00
    13   1     0.00   0.00   0.00     0.60  -0.12   0.60     0.00  -0.00   0.00
    14   1     0.02   0.00   0.01    -0.00   0.00  -0.00     0.81  -0.10   0.57

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.21772 721.620721173.27663
           X            0.99727  -0.07214   0.01583
           Y            0.07211   0.99739   0.00201
           Z           -0.01594  -0.00087   0.99987
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16428     0.12003     0.07382
 Rotational constants (GHZ):           3.42314     2.50096     1.53821
 Zero-point vibrational energy     296660.6 (Joules/Mol)
                                   70.90358 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     69.01   139.32   218.01   379.35   420.69
          (Kelvin)            449.56   500.01   600.85   771.18   881.34
                             1057.71  1096.42  1170.51  1292.79  1425.96
                             1479.52  1520.32  1661.82  1695.71  1748.90
                             1781.01  1846.74  1925.00  2008.62  2052.49
                             2071.27  2190.14  2419.62  2633.74  4336.27
                             4368.81  4440.25  5026.03  5059.60  5125.29
                             5496.29
 
 Zero-point correction=                           0.112992 (Hartree/Particle)
 Thermal correction to Energy=                    0.120893
 Thermal correction to Enthalpy=                  0.121838
 Thermal correction to Gibbs Free Energy=         0.080291
 Sum of electronic and zero-point Energies=           -399.037696
 Sum of electronic and thermal Energies=              -399.029794
 Sum of electronic and thermal Enthalpies=            -399.028850
 Sum of electronic and thermal Free Energies=         -399.070397
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.862             27.267             87.443
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.592
 Vibrational             74.084             21.306             19.986
 Vibration     1          0.595              1.978              4.899
 Vibration     2          0.603              1.951              3.517
 Vibration     3          0.619              1.901              2.653
 Vibration     4          0.670              1.740              1.637
 Vibration     5          0.688              1.688              1.460
 Vibration     6          0.701              1.650              1.349
 Vibration     7          0.725              1.580              1.177
 Vibration     8          0.781              1.432              0.900
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.117181D-36        -36.931141        -85.037096
 Total V=0       0.110038D+16         15.041545         34.634436
 Vib (Bot)       0.115787D-49        -49.936339       -114.982669
 Vib (Bot)    1  0.431053D+01          0.634531          1.461061
 Vib (Bot)    2  0.212068D+01          0.326474          0.751735
 Vib (Bot)    3  0.133763D+01          0.126335          0.290896
 Vib (Bot)    4  0.735346D+00         -0.133508         -0.307414
 Vib (Bot)    5  0.653175D+00         -0.184970         -0.425910
 Vib (Bot)    6  0.604309D+00         -0.218741         -0.503669
 Vib (Bot)    7  0.531747D+00         -0.274295         -0.631588
 Vib (Bot)    8  0.421229D+00         -0.375482         -0.864579
 Vib (Bot)    9  0.296705D+00         -0.527676         -1.215018
 Vib (Bot)   10  0.240610D+00         -0.618686         -1.424578
 Vib (V=0)       0.108729D+03          2.036347          4.688863
 Vib (V=0)    1  0.483943D+01          0.684794          1.576797
 Vib (V=0)    2  0.267882D+01          0.427944          0.985378
 Vib (V=0)    3  0.192802D+01          0.285112          0.656494
 Vib (V=0)    4  0.138923D+01          0.142775          0.328751
 Vib (V=0)    5  0.132258D+01          0.121422          0.279584
 Vib (V=0)    6  0.128434D+01          0.108680          0.250245
 Vib (V=0)    7  0.122990D+01          0.089870          0.206933
 Vib (V=0)    8  0.115378D+01          0.062125          0.143047
 Vib (V=0)    9  0.108141D+01          0.033989          0.078263
 Vib (V=0)   10  0.105488D+01          0.023204          0.053428
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.239164D+06          5.378695         12.384904
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        333             333                                       1    1    1 111 1 11111  11                                  
     8        554             000                                       8    6    5 443 3 22211  00 9  8 8 77   6  5   4 3322  1     
     2        619             831                                       3    8    2 429 3 83175  52 9  9 1 63   1  3   1 4196  5 9 4 
     0        273             664                                       1    2    2 076 8 48695  78 1  9 4 25   3  6   8 8224  2 7 8 
 
     X        XXX             XXX                                       X    X    X XXX X XXXXX  XX X  X X XX   X  X   X XXXX  X X X 
     X         X                                                        X            XX   X XX    X    X   X              XX       X 
     X         X                                                        X            X      XX    X    X   X               X         
               X                                                        X            X            X    X   X               X         
               X                                                        X            X            X    X                   X         
               X                                                        X            X            X    X                             
               X                                                        X            X                 X                             
               X                                                        X            X                 X                             
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X                                                            
               X                                                        X                                                            
               X                                                        X                                                            
               X                                                                                                                     
               X                                                                                                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015251    0.000001104    0.000009506
      2        6          -0.000001430    0.000022009   -0.000005280
      3        6           0.000028584   -0.000015838    0.000000386
      4        8          -0.000005131    0.000007491    0.000005994
      5        8           0.000017740   -0.000016905   -0.000010023
      6        7          -0.000011560   -0.000009771   -0.000002763
      7        8          -0.000008676    0.000004067   -0.000000953
      8        1           0.000009765   -0.000007526    0.000002065
      9        1          -0.000000072   -0.000002701   -0.000001350
     10        1           0.000002505   -0.000000890   -0.000001754
     11        1          -0.000011826    0.000012013   -0.000001744
     12        1          -0.000002259    0.000003945    0.000002929
     13        1          -0.000002064    0.000004448   -0.000000436
     14        1          -0.000000325   -0.000001446    0.000003424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028584 RMS     0.000009239
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.672578D+02 -0.205043D+01 -0.107913D+01
      2  -0.205043D+01  0.612403D+02  0.525950D+00
      3  -0.107913D+01  0.525950D+00  0.480861D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.353066D+01 -0.156891D+01 -0.165002D+02
      2   0.467078D+01  0.109454D+01  0.318258D+01
      3   0.977231D+01 -0.109679D+00  0.168703D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.534719D+00 -0.211507D+02  0.893102D+01
      2   0.243106D+01  0.344944D+02 -0.808026D+01
      3  -0.189634D+01 -0.133436D+02 -0.850760D+00
      4   0.151359D+02  0.208451D+01  0.704494D+01
      5   0.118297D+02  0.361930D+01  0.631837D+01
      6   0.672577D+01 -0.201170D+01  0.290047D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.304713D+01  0.730994D+00  0.180655D+01  0.408890D+00 -0.439227D+01
      2   0.730994D+00 -0.268758D+01  0.207910D+00 -0.439227D+01 -0.351020D+01
      3   0.180655D+01  0.207910D+00  0.156297D+01 -0.711123D-02  0.117691D+01
                 6             7             8             9            10 
      1  -0.711123D-02  0.253231D+01 -0.123401D-01  0.990037D+00 -0.430942D+01
      2   0.117691D+01 -0.123401D-01  0.190118D+01 -0.219831D+00  0.215844D+00
      3  -0.113154D+00  0.990037D+00 -0.219831D+00 -0.688314D+01 -0.110051D+01
                11            12            13            14            15 
      1   0.215844D+00 -0.110051D+01 -0.129840D+01  0.328478D+01  0.185615D+00
      2   0.352318D+01  0.410824D-01  0.328478D+01  0.377889D+01 -0.303496D+00
      3   0.410824D-01 -0.184207D+01  0.185615D+00 -0.303496D+00  0.504579D+00
                16            17            18            19            20 
      1  -0.143002D+01  0.571598D-01 -0.202465D+01  0.731857D+01 -0.181578D+00
      2   0.571598D-01 -0.107008D+01 -0.636342D-01 -0.181578D+00 -0.128128D+01
      3  -0.202465D+01 -0.636342D-01  0.647055D+01 -0.124883D+01 -0.306518D+00
                21            22            23            24            25 
      1  -0.124883D+01  0.417059D+00 -0.272148D+01 -0.307378D+00 -0.180384D+01
      2  -0.306518D+00 -0.272148D+01 -0.239837D+01  0.307884D+00 -0.289349D+00
      3   0.936364D+00 -0.307378D+00  0.307884D+00 -0.479212D+00  0.797373D+00
                26            27            28            29            30 
      1  -0.289349D+00  0.797373D+00 -0.396647D+01 -0.278600D+01  0.232117D+00
      2   0.418884D+00 -0.478851D+00 -0.278600D+01 -0.497742D+00 -0.123193D+00
      3  -0.478851D+00 -0.117740D+01  0.232117D+00 -0.123193D+00  0.111383D+00
                31            32            33            34            35 
      1  -0.166532D+01  0.157153D+01 -0.625496D-01  0.742732D+00  0.274913D-01
      2   0.157153D+01 -0.786033D+01 -0.461103D+00  0.274913D-01  0.161135D+00
      3  -0.625496D-01 -0.461103D+00 -0.106765D+01  0.607804D+00 -0.181869D+01
                36            37            38            39            40 
      1   0.607804D+00 -0.193091D+01 -0.117113D+01 -0.268803D+01 -0.172788D+01
      2  -0.181869D+01 -0.117113D+01  0.840283D-01  0.397959D+00  0.214905D+01
      3  -0.313560D+00 -0.268803D+01  0.397959D+00 -0.958510D+00  0.323295D+00
                41            42            43            44            45 
      1   0.214905D+01  0.323295D+00 -0.499703D+01  0.126178D+01 -0.277219D+00
      2  -0.245088D+01 -0.100163D+01  0.126178D+01 -0.157577D+01 -0.719504D+00
      3  -0.100163D+01  0.217279D-01 -0.277219D+00 -0.719504D+00 -0.155034D+01
                46            47            48            49            50 
      1   0.316768D+01 -0.433216D+00  0.943113D+00  0.591461D+00 -0.198246D+01
      2  -0.433216D+00 -0.415760D+00 -0.307496D+00 -0.198246D+01  0.502084D+01
      3   0.943113D+00 -0.307496D+00  0.363890D+01 -0.541753D+00  0.189755D+00
                51            52            53            54            55 
      1  -0.541753D+00  0.143038D+01 -0.633548D+00  0.343234D+01 -0.142195D+02
      2   0.189755D+00 -0.633548D+00  0.339227D-01  0.717485D+00 -0.570305D+00
      3   0.524694D+00  0.343234D+01  0.717485D+00 -0.167562D+01  0.171567D+01
                56            57            58            59            60 
      1  -0.570305D+00  0.171567D+01 -0.108814D+01 -0.241514D+01  0.256690D+00
      2  -0.324983D+01  0.124218D+00 -0.241514D+01 -0.152418D+00  0.530780D+00
      3   0.124218D+00 -0.249535D+01  0.256690D+00  0.530780D+00  0.121857D+00
                61            62            63            64            65 
      1   0.238392D+01  0.275638D+00 -0.345243D+01  0.179223D+01  0.230607D+00
      2   0.275638D+00  0.887277D+00 -0.176445D+00  0.230607D+00 -0.295132D+00
      3  -0.345243D+01 -0.176445D+00  0.212887D+01 -0.110363D+01 -0.257438D-02
                66            67            68            69            70 
      1  -0.110363D+01  0.749360D-01 -0.339777D+00 -0.187953D-01 -0.158988D+01
      2  -0.257438D-02 -0.339777D+00  0.264262D-01 -0.122274D+01 -0.106800D-01
      3   0.137784D+01 -0.187953D-01 -0.122274D+01 -0.431500D-01  0.118314D+01
                71            72            73            74            75 
      1  -0.106800D-01  0.118314D+01  0.242641D+01  0.211982D+01 -0.544952D+00
      2  -0.158055D+01  0.358762D+00  0.211982D+01  0.244713D+01 -0.152137D+00
      3   0.358762D+00 -0.831272D+01 -0.544952D+00 -0.152137D+00  0.423689D+00
                76            77            78            79            80 
      1   0.289669D+01  0.297152D+01 -0.621398D-01 -0.111184D+01 -0.353381D+00
      2   0.297152D+01  0.706906D+01 -0.522803D+00 -0.353381D+00 -0.125058D+01
      3  -0.621398D-01 -0.522803D+00  0.981177D+00  0.577683D+00  0.119454D+01
                81            82            83            84            85 
      1   0.577683D+00 -0.676368D+00  0.129309D+00  0.982435D+00 -0.253215D+00
      2   0.119454D+01  0.129309D+00  0.199077D+00 -0.180696D+00  0.422484D+00
      3   0.180069D+00  0.982435D+00 -0.180696D+00 -0.100252D+01 -0.567825D-01
                86            87            88            89            90 
      1   0.422484D+00 -0.567825D-01  0.162405D+01 -0.215618D+00  0.413976D+00
      2   0.355450D+00  0.110635D+01 -0.215618D+00  0.121102D+01  0.551278D+00
      3   0.110635D+01 -0.198881D+00  0.413976D+00  0.551278D+00  0.858505D+01
                91            92            93            94            95 
      1   0.623651D+01  0.716703D+00 -0.172295D+00  0.105825D+01  0.110409D+01
      2   0.716703D+00  0.249460D+01  0.244949D+00  0.110409D+01 -0.616237D+00
      3  -0.172295D+00  0.244949D+00  0.619230D+00  0.134956D+00 -0.394655D-01
                96            97            98            99           100 
      1   0.134956D+00 -0.710584D+00  0.160670D+00  0.357806D+00 -0.205064D+01
      2  -0.394655D-01  0.160670D+00 -0.291591D+00 -0.544557D+00  0.776912D+00
      3  -0.500463D+00  0.357806D+00 -0.544557D+00 -0.388139D+00  0.140618D+01
               101           102           103           104           105 
      1   0.776912D+00  0.140618D+01  0.349172D+00 -0.267220D-01 -0.115694D+00
      2  -0.600508D+00 -0.426692D+00 -0.267220D-01  0.401622D+00  0.289389D+00
      3  -0.426692D+00 -0.195337D+01 -0.115694D+00  0.289389D+00 -0.154509D+00
               106           107           108           109           110 
      1   0.220425D+01 -0.480547D+00 -0.219704D+01 -0.437104D+01  0.182315D+01
      2  -0.480547D+00  0.150401D+01  0.662724D+00  0.182315D+01 -0.112454D+01
      3  -0.219704D+01  0.662724D+00  0.434555D+01 -0.208604D+01  0.825674D+00
               111           112           113           114           115 
      1  -0.208604D+01  0.140597D+01 -0.578054D+00  0.588956D+00 -0.309681D+01
      2   0.825674D+00 -0.578054D+00  0.120384D+01 -0.420637D+00  0.104871D+01
      3  -0.207095D+01  0.588956D+00 -0.420637D+00  0.656569D+00 -0.241537D+01
               116           117           118           119           120 
      1   0.104871D+01 -0.241537D+01  0.753580D+01 -0.160111D+01  0.185822D+01
      2  -0.126402D+01  0.964150D+00 -0.160111D+01  0.140434D+01 -0.342486D+00
      3   0.964150D+00 -0.272108D+01  0.185822D+01 -0.342486D+00  0.165240D+01
               121           122           123           124           125 
      1  -0.116947D+01  0.952445D+00 -0.317308D+00  0.382236D+01 -0.835988D+00
      2   0.952445D+00 -0.867697D+00  0.370807D+00 -0.835988D+00  0.915161D+00
      3  -0.317308D+00  0.370807D+00 -0.253585D+00  0.200655D+01 -0.427419D+00
               126 
      1   0.200655D+01
      2  -0.427419D+00
      3   0.131191D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.264036D+01 -0.268606D+01 -0.290430D+01 -0.323860D+01 -0.308571D+01
      2   0.419878D+01  0.359525D+00  0.284910D+01 -0.679418D+00  0.328455D+01
      3   0.372663D+01  0.469310D+01  0.131639D+01  0.757340D+01 -0.222921D+01
                 6             7             8             9            10 
      1  -0.339805D+00 -0.148586D+01  0.278420D+01  0.773507D+01  0.226996D+01
      2   0.806697D+00 -0.246925D+01 -0.445892D+00 -0.782745D+01 -0.140330D+01
      3  -0.942366D+00  0.246847D+01 -0.234074D+01  0.156272D+01 -0.839487D+00
                11            12            13            14            15 
      1  -0.150306D+01 -0.154721D+00 -0.204626D+01 -0.191672D+01 -0.309192D+01
      2  -0.908360D-01  0.145831D+01  0.125369D+00  0.540993D+00  0.165004D+01
      3  -0.381921D+01 -0.976538D+00  0.176778D+01  0.211690D+01  0.819175D+00
                16            17            18            19            20 
      1   0.158932D+01  0.418096D+01 -0.267797D+01 -0.129267D+01  0.708110D+01
      2  -0.447646D+01 -0.166588D+00 -0.880052D-01 -0.283810D+01 -0.172854D+01
      3  -0.195659D+01  0.446488D+00 -0.159913D+01 -0.550215D+01  0.153164D+01
                21            22            23            24            25 
      1   0.506987D+00  0.290072D+01  0.411851D+01  0.542142D+01  0.309803D+01
      2  -0.895189D+01 -0.142188D+01 -0.728451D+00  0.718081D-01 -0.110557D+02
      3   0.119846D+01  0.324827D+01 -0.326230D+00 -0.197563D+01  0.163242D+01
                26            27            28            29            30 
      1   0.167056D+02 -0.147162D+01  0.674700D+00 -0.146242D+01 -0.293492D+00
      2  -0.368390D+01  0.497242D+01 -0.174849D+01 -0.327790D+00  0.357177D+01
      3  -0.531802D+01 -0.604585D+00  0.136926D+02  0.245398D+01 -0.516744D+00
                31            32            33            34            35 
      1   0.594177D+00  0.833101D+00 -0.744678D+01 -0.574501D+00 -0.396847D+01
      2  -0.631857D+00  0.109442D+00 -0.174251D+01 -0.204059D+01  0.217218D+01
      3   0.118542D+02 -0.126035D+01 -0.160686D+00 -0.238083D+01  0.982050D+00
                36            37            38            39            40 
      1   0.279659D+00 -0.231195D+01  0.462063D+00  0.117475D+01  0.107154D+01
      2  -0.433043D+00 -0.773494D+01  0.245890D+01  0.136800D+01  0.189436D+01
      3  -0.157215D+01  0.527247D+01 -0.748180D+01 -0.123618D+00  0.635017D+00
                41            42            43            44            45 
      1  -0.819923D+00 -0.440191D+01 -0.130207D+01  0.322958D+01 -0.216808D+01
      2  -0.280687D+01 -0.112784D+01 -0.569031D+01 -0.431012D+00 -0.542356D+01
      3   0.756954D+01  0.223817D+01 -0.269894D+00  0.492712D+01  0.187977D+01
                46            47            48            49            50 
      1  -0.227483D+01  0.144606D+01 -0.807349D+01  0.231935D+01 -0.170883D+01
      2  -0.137269D+01  0.155701D+01  0.123845D-01  0.870254D+00 -0.984375D+00
      3   0.840108D+01 -0.565794D+01  0.123248D+01  0.525666D+01 -0.626127D+00
                51            52            53            54            55 
      1  -0.592498D+01 -0.924905D+01  0.242241D+01  0.289469D+01  0.225514D+01
      2  -0.808016D+00 -0.665822D+01  0.189256D+01  0.876838D+00 -0.582659D+00
      3  -0.122244D+01  0.212151D+01 -0.189942D+01  0.944619D+01  0.973258D+01
                56            57            58            59            60 
      1  -0.318270D+01 -0.216317D+01 -0.859916D+00 -0.145876D+00 -0.384014D+01
      2   0.378700D-01  0.124647D+02  0.831571D+00 -0.554643D+00  0.161012D+01
      3  -0.132300D+02 -0.108178D+01 -0.129781D-01  0.121512D+01  0.979138D+00
                61            62            63            64            65 
      1  -0.403802D+01 -0.554941D+00  0.220712D+01  0.624161D+00 -0.169639D+00
      2   0.110932D+01  0.172154D+01 -0.416669D+01  0.134627D+01  0.202917D+00
      3  -0.864953D+00  0.402574D+01  0.280486D+01  0.122673D+01 -0.660180D+00
                66            67            68            69            70 
      1  -0.762314D+00  0.200967D+00  0.788476D+00  0.131717D+00 -0.114493D+01
      2   0.497890D+00 -0.269677D+00 -0.109949D+00 -0.327253D-01 -0.262348D+01
      3  -0.610174D+00  0.124061D+01 -0.289292D+00 -0.201470D+00 -0.748964D+00
                71            72            73            74            75 
      1   0.237615D+01  0.510777D+01  0.157869D+01  0.133229D+01 -0.109307D+01
      2   0.374787D+00 -0.453686D-01 -0.110060D+01 -0.106920D+01  0.175561D+01
      3   0.579271D+00  0.349238D+00  0.149160D+00 -0.216910D+01 -0.367670D+00
                76            77            78            79            80 
      1   0.108810D+01  0.310076D+01 -0.337439D+01 -0.495885D+00 -0.104013D+01
      2  -0.693583D+00 -0.143584D+01  0.211663D+01  0.121010D+00  0.152103D+01
      3   0.237264D+01 -0.770833D+01  0.761036D+00 -0.142939D+01  0.157370D+01
                81            82            83            84            85 
      1   0.288078D+00 -0.785237D+00 -0.220496D+00  0.736730D+00  0.150318D+00
      2  -0.207698D+00  0.218298D+01 -0.422369D+00 -0.881028D+00  0.221021D+00
      3  -0.950454D+00 -0.133478D+01 -0.801116D+00  0.923349D+00  0.283552D+00
                86            87            88            89            90 
      1  -0.893967D+00  0.442003D+00 -0.483595D+00  0.305633D+01 -0.799574D+01
      2   0.134567D+01 -0.182476D+00 -0.371398D+01  0.118299D+01  0.111465D+02
      3   0.289976D+00 -0.131459D+01  0.162428D+01 -0.166089D+01 -0.863585D+00
                91            92            93            94            95 
      1  -0.889087D+00 -0.173172D+00  0.220433D+01  0.684477D-01 -0.707873D-01
      2   0.275912D+01  0.888018D+00 -0.950136D+00  0.838800D+00  0.369027D+00
      3  -0.201570D+02 -0.283501D+01  0.257883D+00 -0.386473D+01 -0.805595D+00
                96            97            98            99           100 
      1   0.255135D+00  0.132927D+01  0.943953D+00 -0.375408D+00 -0.325993D+01
      2  -0.104383D+01 -0.226915D+01 -0.282117D+00 -0.239195D+00 -0.824133D+00
      3  -0.351832D+00  0.158903D+01 -0.482499D+00 -0.338355D+00 -0.405266D+01
               101           102           103           104           105 
      1   0.334209D+00  0.490767D+01  0.159493D+00 -0.117328D+01  0.465255D-01
      2   0.695804D+00  0.276832D+01  0.622788D+00  0.154004D+00  0.539814D-01
      3  -0.276170D+00  0.304949D+01  0.613958D+00 -0.426617D+00  0.501808D-01
               106           107           108           109           110 
      1   0.548287D+01  0.406403D+00 -0.967557D+01  0.427854D+01 -0.114373D+01
      2   0.634941D+00 -0.838528D+00 -0.425175D+01  0.849157D+00 -0.904914D+00
      3   0.513268D+01  0.696180D+00 -0.508383D+01 -0.846125D+01  0.106022D+01
               111           112           113           114           115 
      1   0.487430D+01 -0.153789D+01  0.593632D+00 -0.136864D+01  0.509896D+01
      2   0.279987D+01 -0.600662D+00  0.272148D-01 -0.665887D+00  0.834095D+00
      3  -0.408347D+01  0.297300D+01 -0.311524D+00  0.128541D+01 -0.636322D+01
               116           117           118           119           120 
      1  -0.350555D+00  0.545159D+01  0.177287D+01 -0.114439D+00  0.103979D+01
      2  -0.834418D+00  0.245186D+01  0.573029D+01 -0.139261D+01  0.528674D+01
      3   0.686138D+00 -0.486838D+01 -0.828506D+00 -0.342787D+01 -0.481911D+00
               121           122           123           124           125 
      1  -0.332141D+00  0.116835D+00 -0.557885D+00  0.115007D+01  0.428000D+00
      2  -0.110708D+01  0.789228D+00 -0.705994D+00  0.466580D+01 -0.115389D+01
      3  -0.309471D+00  0.176299D+01 -0.501448D+00 -0.554558D+00 -0.221511D+01
               126 
      1   0.664274D+00
      2   0.377248D+01
      3  -0.162310D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.398250D+00  0.952500D+00  0.170432D+01  0.937247D+01 -0.440652D+01
      2  -0.360407D+01 -0.217536D+01 -0.365469D+01 -0.123816D+02 -0.102886D+02
      3   0.400231D+01  0.122286D+01  0.195037D+01  0.300917D+01  0.146952D+02
      4   0.406492D+01 -0.108138D+02  0.408908D+01 -0.165312D+02 -0.177779D+02
      5   0.782966D+01  0.594691D+00  0.173297D+01 -0.242056D+01  0.290205D+01
      6   0.380440D+01  0.109829D+01  0.476210D+01  0.195082D+00  0.250196D+00
                 6             7             8             9            10 
      1  -0.738048D+00  0.619104D+01 -0.412597D+00  0.125088D+02 -0.490667D+01
      2   0.377333D+01 -0.277125D+01  0.255933D+01  0.635708D+01  0.610842D+01
      3  -0.303528D+01 -0.341979D+01 -0.214673D+01 -0.188659D+02 -0.120175D+01
      4   0.336328D+01  0.195555D+01  0.492332D+01  0.202525D+00 -0.631030D+00
      5   0.246331D+01  0.229749D+01  0.294311D+00 -0.131710D+02 -0.267433D+01
      6  -0.158378D+01  0.223253D+01  0.628621D+00 -0.864271D+01 -0.291111D+01
                11            12            13            14            15 
      1  -0.619938D+01 -0.368312D+01  0.897506D-01  0.960788D+00  0.817290D+00
      2   0.107414D+02  0.781263D+00  0.308025D+01 -0.210260D+01  0.282855D+00
      3  -0.454199D+01  0.290186D+01 -0.317000D+01  0.114182D+01 -0.110015D+01
      4  -0.134385D+01 -0.252949D+01 -0.214789D+01  0.371214D+01 -0.217564D+00
      5  -0.489413D+00 -0.184426D+01  0.289195D+00  0.662287D+00  0.235950D+01
      6  -0.290290D+00 -0.507592D+00  0.125711D+00  0.912791D+00 -0.320520D+00
                16            17            18            19            20 
      1  -0.505898D+01  0.695496D+00  0.883136D+01 -0.326144D+02 -0.524771D+01
      2  -0.408751D+00 -0.391281D+01  0.807172D+01  0.188899D+02  0.483777D+01
      3   0.546773D+01  0.321732D+01 -0.169031D+02  0.137244D+02  0.409938D+00
      4  -0.324334D+01 -0.652805D+00 -0.334449D+01 -0.106964D+02 -0.123051D+02
      5  -0.596614D+00 -0.104976D+01  0.477939D+01  0.587915D+01  0.577041D-01
      6  -0.406414D+01  0.237124D+00  0.736511D+01  0.252916D+01  0.206624D+01
                21            22            23            24            25 
      1   0.447304D+00 -0.117009D+01  0.872555D+01  0.439952D+00  0.846753D+01
      2  -0.485673D+01  0.206066D+01 -0.134338D+02 -0.132887D+01 -0.589223D+01
      3   0.440943D+01 -0.890564D+00  0.470824D+01  0.888920D+00 -0.257530D+01
      4   0.226063D+01 -0.188918D+01  0.738625D+01 -0.115155D+01  0.393774D+01
      5  -0.136826D+02 -0.452852D+00 -0.138344D+01  0.187583D+01  0.121436D+01
      6   0.896008D+00 -0.122226D+01 -0.275074D+01 -0.657250D+01 -0.150743D+01
                26            27            28            29            30 
      1  -0.136600D+01 -0.721350D+01 -0.168307D+01 -0.209466D+01 -0.770441D+00
      2  -0.991317D-01 -0.305150D+01  0.651824D+01  0.817284D+00  0.896740D+00
      3   0.146513D+01  0.102650D+02 -0.483517D+01  0.127738D+01 -0.126299D+00
      4   0.416694D+01 -0.851616D+00  0.450305D+01  0.153268D+02 -0.602171D+00
      5  -0.115383D+01  0.689212D+01 -0.366213D+00  0.150213D+00  0.634531D+01
      6   0.143190D+01  0.156752D+01 -0.141887D+01 -0.299491D+00 -0.118078D+01
                31            32            33            34            35 
      1  -0.916926D+00 -0.261327D+02 -0.192034D+01  0.954032D-01  0.233871D+00
      2  -0.207663D+01  0.389471D+02  0.148608D+01  0.643196D+00  0.106736D+00
      3   0.299356D+01 -0.128144D+02  0.434261D+00 -0.738599D+00 -0.340607D+00
      4   0.109433D+02 -0.813198D+00  0.101656D+01 -0.133637D+01 -0.619293D+00
      5   0.456188D+00  0.136382D+01 -0.199418D+01  0.365256D+01  0.122046D+01
      6   0.731045D+00  0.412520D+01  0.140574D+02 -0.264646D+01  0.129317D+02
                36            37            38            39            40 
      1  -0.865124D+01 -0.180271D+01 -0.694874D+00 -0.123635D+02 -0.742938D+01
      2   0.466073D+01  0.387537D+00 -0.177344D+01  0.868109D+01  0.497951D+01
      3   0.399051D+01  0.141517D+01  0.246832D+01  0.368243D+01  0.244986D+01
      4   0.179549D+00 -0.767922D+00  0.674995D+01  0.260567D+01  0.110725D+02
      5   0.231957D+00 -0.167062D+02  0.308967D+01  0.284596D+01  0.304797D+01
      6   0.163254D+01  0.216262D+01 -0.105634D+01 -0.136724D+01 -0.966287D+00
                41            42            43            44            45 
      1   0.772388D+00  0.708219D+00 -0.243872D+02  0.485328D+01 -0.543120D+01
      2   0.711360D+01 -0.151728D+01  0.147457D+02 -0.131243D+01 -0.205795D+01
      3  -0.788599D+01  0.809061D+00  0.964145D+01 -0.354085D+01  0.748916D+01
      4  -0.760328D+01 -0.399939D+01  0.644050D+01 -0.564530D+01 -0.151570D+01
      5  -0.467480D+01 -0.246870D+01  0.181056D+01 -0.312105D+01 -0.106855D+02
      6   0.630153D+00  0.599504D+01  0.103292D+01  0.379842D+01  0.258240D+01
                46            47            48            49            50 
      1  -0.187471D+01  0.571048D+01 -0.646649D+00  0.263910D+01 -0.141810D+02
      2   0.321359D+01 -0.845991D+01 -0.151969D+01 -0.620844D+01  0.285697D+02
      3  -0.133888D+01  0.274943D+01  0.216634D+01  0.356934D+01 -0.143888D+02
      4   0.126849D+02  0.314867D+01  0.353028D+01  0.991188D+01 -0.142454D+02
      5  -0.372799D+01  0.235811D+01 -0.642193D+01  0.130072D+01 -0.686927D+00
      6   0.430995D+01 -0.208322D+01  0.136705D+02 -0.256196D+01  0.108476D+00
                51            52            53            54            55 
      1   0.782770D+00  0.837161D-01  0.960290D+00 -0.112137D+02  0.668212D+02
      2   0.706318D+00 -0.244421D+01  0.101855D+01  0.831553D+01 -0.404280D+02
      3  -0.148909D+01  0.236050D+01 -0.197884D+01  0.289814D+01 -0.263931D+02
      4  -0.219734D+01  0.466666D+01 -0.242609D+01  0.118655D+02  0.213318D+02
      5  -0.196292D+01 -0.650387D+01  0.258076D+01  0.200718D+01 -0.868056D+01
      6   0.756793D+01  0.147220D+02  0.762474D+01 -0.432983D+01 -0.234638D+01
                56            57            58            59            60 
      1   0.193311D+01 -0.406331D+01  0.232695D+01  0.389511D+01  0.538537D+00
      2   0.285292D+01  0.600446D+01  0.110381D+01  0.257472D+01 -0.182920D+00
      3  -0.478603D+01 -0.194116D+01 -0.343075D+01 -0.646983D+01 -0.355617D+00
      4   0.187411D+02 -0.208794D+01  0.166561D+02  0.616749D+01 -0.223073D+01
      5  -0.512546D+00  0.212986D+02 -0.250940D+00 -0.183813D+01  0.166760D+01
      6  -0.697905D+00  0.392529D+01 -0.142901D+01 -0.104491D+01  0.577225D+01
                61            62            63            64            65 
      1  -0.678955D+01  0.103297D+01  0.778033D+01 -0.147202D+00  0.525062D+00
      2   0.703708D+01 -0.678485D+00 -0.108337D+02 -0.411129D+01 -0.572672D+00
      3  -0.247524D+00 -0.354486D+00  0.305342D+01  0.425849D+01  0.476096D-01
      4  -0.246765D+01 -0.354768D+01  0.521378D+01  0.149240D+01  0.198410D+01
      5   0.195665D+02  0.201932D+01 -0.103263D+02 -0.175856D+01  0.700297D-02
      6   0.631676D+01  0.576947D+01 -0.372286D+01 -0.120414D+01 -0.857232D+00
                66            67            68            69            70 
      1   0.139026D+01 -0.291985D-01 -0.324279D+01  0.800489D+00  0.174176D+01
      2   0.189333D+01  0.577686D+00  0.547717D+00 -0.244750D+01  0.289059D+01
      3  -0.328359D+01 -0.548488D+00  0.269507D+01  0.164701D+01 -0.463235D+01
      4  -0.111239D+01  0.205956D+01  0.605495D+00 -0.305991D+00 -0.124286D+01
      5   0.679900D+01  0.155587D+00 -0.122222D+01 -0.164927D+00  0.474013D+01
      6   0.145737D+01 -0.995638D+00 -0.164525D+01  0.559351D+01  0.191402D+01
                71            72            73            74            75 
      1   0.230627D+01 -0.172397D+02  0.777563D+01  0.435488D+01 -0.142196D+01
      2  -0.135054D+01 -0.149667D+02  0.134478D+01  0.342571D+01  0.700327D-01
      3  -0.955722D+00  0.322063D+02 -0.912042D+01 -0.778059D+01  0.135193D+01
      4   0.740194D+00  0.136246D+01  0.139437D+02  0.156598D+02 -0.150790D+01
      5   0.473744D+00 -0.462038D+01 -0.867970D+00 -0.486131D-01  0.269460D+01
      6   0.501273D+01 -0.101939D+02 -0.520571D+00  0.192663D+00  0.160744D+01
                76            77            78            79            80 
      1   0.395458D+01 -0.582605D+01  0.364337D+00 -0.275751D+01  0.378183D+00
      2   0.554511D+01  0.230521D+02 -0.234146D+01  0.513441D+00 -0.303329D+01
      3  -0.949969D+01 -0.172260D+02  0.197712D+01  0.224407D+01  0.265510D+01
      4   0.179813D+02  0.302766D+02 -0.210161D+01 -0.320258D+01 -0.470196D+01
      5   0.570929D+00 -0.797908D+00  0.362892D+01  0.335054D+01  0.446660D+01
      6   0.774416D+00  0.674175D+00  0.461610D+01  0.246772D+01  0.532353D+01
                81            82            83            84            85 
      1  -0.220487D+01 -0.200823D+01  0.641674D+00  0.474049D+01 -0.164561D+01
      2   0.134419D+01 -0.124126D+01  0.437300D+00 -0.121885D+01  0.194342D+01
      3   0.860675D+00  0.324950D+01 -0.107897D+01 -0.352165D+01 -0.297819D+00
      4   0.516334D+01 -0.204075D+00  0.252300D+01  0.786463D+00  0.261235D+01
      5  -0.531476D+00  0.139291D+01  0.331535D-01  0.364861D+01 -0.156737D+00
      6  -0.849675D+00  0.955868D+00 -0.966800D+00 -0.177107D+01  0.250367D+00
                86            87            88            89            90 
      1  -0.240811D+01 -0.106583D+01  0.458094D+01 -0.302194D+01 -0.185441D+02
      2   0.451627D+00  0.214951D+01 -0.318557D+01  0.182760D+01 -0.143073D+02
      3   0.195648D+01 -0.108368D+01 -0.139537D+01  0.119435D+01  0.328514D+02
      4   0.185016D+01  0.243385D+01  0.145440D+01  0.261023D+01  0.227218D+01
      5   0.225184D+01 -0.912922D+00  0.587353D+01  0.132400D+01  0.193378D+02
      6   0.137147D+01  0.527191D+01  0.340829D+00  0.524160D+01  0.113510D+02
                91            92            93            94            95 
      1   0.350001D+01  0.910087D+01  0.146998D+01  0.204868D+01  0.130514D+01
      2  -0.345662D+01 -0.109348D+02 -0.748026D+00 -0.368112D+01 -0.144367D-01
      3  -0.433898D-01  0.183397D+01 -0.721953D+00  0.163244D+01 -0.129071D+01
      4  -0.112351D+02 -0.763415D+00  0.126009D+01  0.291211D+00 -0.474701D+01
      5   0.355741D+00  0.567824D+00 -0.150179D+01  0.640510D+00  0.714802D-01
      6   0.191752D+01 -0.998255D+00 -0.336065D+01 -0.240052D+00  0.194362D+00
                96            97            98            99           100 
      1   0.375942D+00  0.464419D-02 -0.569615D+00 -0.104913D+01  0.515647D+01
      2  -0.468096D-01 -0.104577D-01  0.581505D+00 -0.188627D+00 -0.233495D+01
      3  -0.329132D+00  0.581356D-02 -0.118904D-01  0.123776D+01 -0.282152D+01
      4  -0.228686D+00  0.166272D+01 -0.838659D-01 -0.119025D+01 -0.879925D+01
      5  -0.190715D+01  0.120437D+01 -0.518218D+00 -0.842561D+00 -0.534448D+01
      6   0.428686D+00 -0.142101D+01  0.219690D+01  0.883520D+00  0.512411D+01
               101           102           103           104           105 
      1  -0.117780D+01 -0.240889D+01 -0.138083D+01 -0.174281D+01  0.227030D-01
      2  -0.380786D+00  0.189883D+01  0.961121D+00  0.251866D+01  0.128946D+01
      3   0.155858D+01  0.510057D+00  0.419705D+00 -0.775843D+00 -0.131216D+01
      4   0.525789D+01  0.521098D+01  0.210568D+01 -0.539993D-01 -0.167927D+01
      5   0.148342D+01  0.775615D+01  0.129402D+00 -0.125383D+01 -0.126539D+00
      6  -0.209560D+01 -0.806144D+01 -0.125847D+01  0.531883D+00  0.151884D+01
               106           107           108           109           110 
      1  -0.310123D+01 -0.246860D+01  0.344158D+00  0.999234D+01 -0.242608D+01
      2   0.325127D+01  0.396422D+01 -0.543293D+01 -0.279423D+01 -0.142854D+01
      3  -0.150035D+00 -0.149562D+01  0.508877D+01 -0.719811D+01  0.385462D+01
      4   0.730907D+01 -0.394022D+01 -0.749541D+01 -0.185890D+02  0.105377D+02
      5   0.755639D+01 -0.214677D+01 -0.118082D+02  0.101584D+02 -0.400384D+01
      6  -0.852268D+01  0.356316D+01  0.155745D+02 -0.941875D+01  0.479176D+01
               111           112           113           114           115 
      1   0.375464D+01 -0.160249D+01 -0.241222D+01 -0.330307D+00  0.309878D+01
      2  -0.157453D+01 -0.932679D+00  0.489808D+01 -0.147720D+01 -0.193445D+01
      3  -0.218011D+01  0.253517D+01 -0.248587D+01  0.180751D+01 -0.116433D+01
      4  -0.872136D+01  0.705591D+01 -0.335562D+01  0.384028D+01 -0.111112D+02
      5   0.915760D+01 -0.165756D+01  0.215403D+01 -0.127393D+01  0.982766D+01
      6  -0.882731D+01  0.399650D+01 -0.209849D+01  0.412419D+01 -0.105193D+02
               116           117           118           119           120 
      1   0.111164D+01  0.118392D+01  0.418667D+02 -0.811198D+01  0.104121D+02
      2  -0.255903D+01 -0.325731D+01 -0.233306D+02  0.398016D+01 -0.593381D+01
      3   0.144739D+01  0.207338D+01 -0.185361D+02  0.413182D+01 -0.447824D+01
      4   0.556184D+01 -0.942764D+01 -0.914853D+01  0.653747D+01 -0.265600D+01
      5  -0.383370D+01  0.946807D+01  0.134313D+02 -0.276143D+01  0.925792D+01
      6   0.584496D+01 -0.111003D+02 -0.298383D+01  0.119618D+01 -0.124262D+01
               121           122           123           124           125 
      1  -0.489006D+01  0.386630D+01 -0.114635D+01  0.185501D+02 -0.408387D+01
      2   0.229502D+01 -0.118010D+01  0.355769D+00 -0.117150D+02  0.253716D+01
      3   0.259504D+01 -0.268621D+01  0.790578D+00 -0.683510D+01  0.154672D+01
      4   0.713625D+01 -0.345221D+01  0.237904D+01 -0.482264D+01  0.361470D+01
      5  -0.165184D+01  0.245175D+01 -0.118388D+01  0.132643D+02 -0.260630D+01
      6   0.152143D+01 -0.733368D+00  0.161706D+01 -0.239619D+01  0.163545D+01
               126 
      1   0.884138D+01
      2  -0.671061D+01
      3  -0.213078D+01
      4  -0.243418D+01
      5   0.818977D+01
      6  -0.159136D+01
 Leave Link  716 at Thu Aug 12 21:45:08 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.672578D+02 -0.205043D+01 -0.107913D+01
      2  -0.205043D+01  0.612403D+02  0.525950D+00
      3  -0.107913D+01  0.525950D+00  0.480861D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.353066D+01 -0.156891D+01 -0.165002D+02
      2   0.467078D+01  0.109454D+01  0.318258D+01
      3   0.977231D+01 -0.109679D+00  0.168703D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.534719D+00 -0.211507D+02  0.893102D+01
      2   0.243106D+01  0.344944D+02 -0.808026D+01
      3  -0.189634D+01 -0.133436D+02 -0.850760D+00
      4   0.151359D+02  0.208451D+01  0.704494D+01
      5   0.118297D+02  0.361930D+01  0.631837D+01
      6   0.672577D+01 -0.201170D+01  0.290047D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.304713D+01  0.730994D+00  0.180655D+01  0.408890D+00 -0.439227D+01
      2   0.730994D+00 -0.268758D+01  0.207910D+00 -0.439227D+01 -0.351020D+01
      3   0.180655D+01  0.207910D+00  0.156297D+01 -0.711123D-02  0.117691D+01
                 6             7             8             9            10 
      1  -0.711123D-02  0.253231D+01 -0.123401D-01  0.990037D+00 -0.430942D+01
      2   0.117691D+01 -0.123401D-01  0.190118D+01 -0.219831D+00  0.215844D+00
      3  -0.113154D+00  0.990037D+00 -0.219831D+00 -0.688314D+01 -0.110051D+01
                11            12            13            14            15 
      1   0.215844D+00 -0.110051D+01 -0.129840D+01  0.328478D+01  0.185615D+00
      2   0.352318D+01  0.410824D-01  0.328478D+01  0.377889D+01 -0.303496D+00
      3   0.410824D-01 -0.184207D+01  0.185615D+00 -0.303496D+00  0.504579D+00
                16            17            18            19            20 
      1  -0.143002D+01  0.571598D-01 -0.202465D+01  0.731857D+01 -0.181578D+00
      2   0.571598D-01 -0.107008D+01 -0.636342D-01 -0.181578D+00 -0.128128D+01
      3  -0.202465D+01 -0.636342D-01  0.647055D+01 -0.124883D+01 -0.306518D+00
                21            22            23            24            25 
      1  -0.124883D+01  0.417059D+00 -0.272148D+01 -0.307378D+00 -0.180384D+01
      2  -0.306518D+00 -0.272148D+01 -0.239837D+01  0.307884D+00 -0.289349D+00
      3   0.936364D+00 -0.307378D+00  0.307884D+00 -0.479212D+00  0.797373D+00
                26            27            28            29            30 
      1  -0.289349D+00  0.797373D+00 -0.396647D+01 -0.278600D+01  0.232117D+00
      2   0.418884D+00 -0.478851D+00 -0.278600D+01 -0.497742D+00 -0.123193D+00
      3  -0.478851D+00 -0.117740D+01  0.232117D+00 -0.123193D+00  0.111383D+00
                31            32            33            34            35 
      1  -0.166532D+01  0.157153D+01 -0.625496D-01  0.742732D+00  0.274913D-01
      2   0.157153D+01 -0.786033D+01 -0.461103D+00  0.274913D-01  0.161135D+00
      3  -0.625496D-01 -0.461103D+00 -0.106765D+01  0.607804D+00 -0.181869D+01
                36            37            38            39            40 
      1   0.607804D+00 -0.193091D+01 -0.117113D+01 -0.268803D+01 -0.172788D+01
      2  -0.181869D+01 -0.117113D+01  0.840283D-01  0.397959D+00  0.214905D+01
      3  -0.313560D+00 -0.268803D+01  0.397959D+00 -0.958510D+00  0.323295D+00
                41            42            43            44            45 
      1   0.214905D+01  0.323295D+00 -0.499703D+01  0.126178D+01 -0.277219D+00
      2  -0.245088D+01 -0.100163D+01  0.126178D+01 -0.157577D+01 -0.719504D+00
      3  -0.100163D+01  0.217279D-01 -0.277219D+00 -0.719504D+00 -0.155034D+01
                46            47            48            49            50 
      1   0.316768D+01 -0.433216D+00  0.943113D+00  0.591461D+00 -0.198246D+01
      2  -0.433216D+00 -0.415760D+00 -0.307496D+00 -0.198246D+01  0.502084D+01
      3   0.943113D+00 -0.307496D+00  0.363890D+01 -0.541753D+00  0.189755D+00
                51            52            53            54            55 
      1  -0.541753D+00  0.143038D+01 -0.633548D+00  0.343234D+01 -0.142195D+02
      2   0.189755D+00 -0.633548D+00  0.339227D-01  0.717485D+00 -0.570305D+00
      3   0.524694D+00  0.343234D+01  0.717485D+00 -0.167562D+01  0.171567D+01
                56            57            58            59            60 
      1  -0.570305D+00  0.171567D+01 -0.108814D+01 -0.241514D+01  0.256690D+00
      2  -0.324983D+01  0.124218D+00 -0.241514D+01 -0.152418D+00  0.530780D+00
      3   0.124218D+00 -0.249535D+01  0.256690D+00  0.530780D+00  0.121857D+00
                61            62            63            64            65 
      1   0.238392D+01  0.275638D+00 -0.345243D+01  0.179223D+01  0.230607D+00
      2   0.275638D+00  0.887277D+00 -0.176445D+00  0.230607D+00 -0.295132D+00
      3  -0.345243D+01 -0.176445D+00  0.212887D+01 -0.110363D+01 -0.257438D-02
                66            67            68            69            70 
      1  -0.110363D+01  0.749360D-01 -0.339777D+00 -0.187953D-01 -0.158988D+01
      2  -0.257438D-02 -0.339777D+00  0.264262D-01 -0.122274D+01 -0.106800D-01
      3   0.137784D+01 -0.187953D-01 -0.122274D+01 -0.431500D-01  0.118314D+01
                71            72            73            74            75 
      1  -0.106800D-01  0.118314D+01  0.242641D+01  0.211982D+01 -0.544952D+00
      2  -0.158055D+01  0.358762D+00  0.211982D+01  0.244713D+01 -0.152137D+00
      3   0.358762D+00 -0.831272D+01 -0.544952D+00 -0.152137D+00  0.423689D+00
                76            77            78            79            80 
      1   0.289669D+01  0.297152D+01 -0.621398D-01 -0.111184D+01 -0.353381D+00
      2   0.297152D+01  0.706906D+01 -0.522803D+00 -0.353381D+00 -0.125058D+01
      3  -0.621398D-01 -0.522803D+00  0.981177D+00  0.577683D+00  0.119454D+01
                81            82            83            84            85 
      1   0.577683D+00 -0.676368D+00  0.129309D+00  0.982435D+00 -0.253215D+00
      2   0.119454D+01  0.129309D+00  0.199077D+00 -0.180696D+00  0.422484D+00
      3   0.180069D+00  0.982435D+00 -0.180696D+00 -0.100252D+01 -0.567825D-01
                86            87            88            89            90 
      1   0.422484D+00 -0.567825D-01  0.162405D+01 -0.215618D+00  0.413976D+00
      2   0.355450D+00  0.110635D+01 -0.215618D+00  0.121102D+01  0.551278D+00
      3   0.110635D+01 -0.198881D+00  0.413976D+00  0.551278D+00  0.858505D+01
                91            92            93            94            95 
      1   0.623651D+01  0.716703D+00 -0.172295D+00  0.105825D+01  0.110409D+01
      2   0.716703D+00  0.249460D+01  0.244949D+00  0.110409D+01 -0.616237D+00
      3  -0.172295D+00  0.244949D+00  0.619230D+00  0.134956D+00 -0.394655D-01
                96            97            98            99           100 
      1   0.134956D+00 -0.710584D+00  0.160670D+00  0.357806D+00 -0.205064D+01
      2  -0.394655D-01  0.160670D+00 -0.291591D+00 -0.544557D+00  0.776912D+00
      3  -0.500463D+00  0.357806D+00 -0.544557D+00 -0.388139D+00  0.140618D+01
               101           102           103           104           105 
      1   0.776912D+00  0.140618D+01  0.349172D+00 -0.267220D-01 -0.115694D+00
      2  -0.600508D+00 -0.426692D+00 -0.267220D-01  0.401622D+00  0.289389D+00
      3  -0.426692D+00 -0.195337D+01 -0.115694D+00  0.289389D+00 -0.154509D+00
               106           107           108           109           110 
      1   0.220425D+01 -0.480547D+00 -0.219704D+01 -0.437104D+01  0.182315D+01
      2  -0.480547D+00  0.150401D+01  0.662724D+00  0.182315D+01 -0.112454D+01
      3  -0.219704D+01  0.662724D+00  0.434555D+01 -0.208604D+01  0.825674D+00
               111           112           113           114           115 
      1  -0.208604D+01  0.140597D+01 -0.578054D+00  0.588956D+00 -0.309681D+01
      2   0.825674D+00 -0.578054D+00  0.120384D+01 -0.420637D+00  0.104871D+01
      3  -0.207095D+01  0.588956D+00 -0.420637D+00  0.656569D+00 -0.241537D+01
               116           117           118           119           120 
      1   0.104871D+01 -0.241537D+01  0.753580D+01 -0.160111D+01  0.185822D+01
      2  -0.126402D+01  0.964150D+00 -0.160111D+01  0.140434D+01 -0.342486D+00
      3   0.964150D+00 -0.272108D+01  0.185822D+01 -0.342486D+00  0.165240D+01
               121           122           123           124           125 
      1  -0.116947D+01  0.952445D+00 -0.317308D+00  0.382236D+01 -0.835988D+00
      2   0.952445D+00 -0.867697D+00  0.370807D+00 -0.835988D+00  0.915161D+00
      3  -0.317308D+00  0.370807D+00 -0.253585D+00  0.200655D+01 -0.427419D+00
               126 
      1   0.200655D+01
      2  -0.427419D+00
      3   0.131191D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.264036D+01 -0.268606D+01 -0.290430D+01 -0.323860D+01 -0.308571D+01
      2   0.419878D+01  0.359525D+00  0.284910D+01 -0.679418D+00  0.328455D+01
      3   0.372663D+01  0.469310D+01  0.131639D+01  0.757340D+01 -0.222921D+01
                 6             7             8             9            10 
      1  -0.339805D+00 -0.148586D+01  0.278420D+01  0.773507D+01  0.226996D+01
      2   0.806697D+00 -0.246925D+01 -0.445892D+00 -0.782745D+01 -0.140330D+01
      3  -0.942366D+00  0.246847D+01 -0.234074D+01  0.156272D+01 -0.839487D+00
                11            12            13            14            15 
      1  -0.150306D+01 -0.154721D+00 -0.204626D+01 -0.191672D+01 -0.309192D+01
      2  -0.908360D-01  0.145831D+01  0.125369D+00  0.540993D+00  0.165004D+01
      3  -0.381921D+01 -0.976538D+00  0.176778D+01  0.211690D+01  0.819175D+00
                16            17            18            19            20 
      1   0.158932D+01  0.418096D+01 -0.267797D+01 -0.129267D+01  0.708110D+01
      2  -0.447646D+01 -0.166588D+00 -0.880052D-01 -0.283810D+01 -0.172854D+01
      3  -0.195659D+01  0.446488D+00 -0.159913D+01 -0.550215D+01  0.153164D+01
                21            22            23            24            25 
      1   0.506987D+00  0.290072D+01  0.411851D+01  0.542142D+01  0.309803D+01
      2  -0.895189D+01 -0.142188D+01 -0.728451D+00  0.718081D-01 -0.110557D+02
      3   0.119846D+01  0.324827D+01 -0.326230D+00 -0.197563D+01  0.163242D+01
                26            27            28            29            30 
      1   0.167056D+02 -0.147162D+01  0.674700D+00 -0.146242D+01 -0.293492D+00
      2  -0.368390D+01  0.497242D+01 -0.174849D+01 -0.327790D+00  0.357177D+01
      3  -0.531802D+01 -0.604585D+00  0.136926D+02  0.245398D+01 -0.516744D+00
                31            32            33            34            35 
      1   0.594177D+00  0.833101D+00 -0.744678D+01 -0.574501D+00 -0.396847D+01
      2  -0.631857D+00  0.109442D+00 -0.174251D+01 -0.204059D+01  0.217218D+01
      3   0.118542D+02 -0.126035D+01 -0.160686D+00 -0.238083D+01  0.982050D+00
                36            37            38            39            40 
      1   0.279659D+00 -0.231195D+01  0.462063D+00  0.117475D+01  0.107154D+01
      2  -0.433043D+00 -0.773494D+01  0.245890D+01  0.136800D+01  0.189436D+01
      3  -0.157215D+01  0.527247D+01 -0.748180D+01 -0.123618D+00  0.635017D+00
                41            42            43            44            45 
      1  -0.819923D+00 -0.440191D+01 -0.130207D+01  0.322958D+01 -0.216808D+01
      2  -0.280687D+01 -0.112784D+01 -0.569031D+01 -0.431012D+00 -0.542356D+01
      3   0.756954D+01  0.223817D+01 -0.269894D+00  0.492712D+01  0.187977D+01
                46            47            48            49            50 
      1  -0.227483D+01  0.144606D+01 -0.807349D+01  0.231935D+01 -0.170883D+01
      2  -0.137269D+01  0.155701D+01  0.123845D-01  0.870254D+00 -0.984375D+00
      3   0.840108D+01 -0.565794D+01  0.123248D+01  0.525666D+01 -0.626127D+00
                51            52            53            54            55 
      1  -0.592498D+01 -0.924905D+01  0.242241D+01  0.289469D+01  0.225514D+01
      2  -0.808016D+00 -0.665822D+01  0.189256D+01  0.876838D+00 -0.582659D+00
      3  -0.122244D+01  0.212151D+01 -0.189942D+01  0.944619D+01  0.973258D+01
                56            57            58            59            60 
      1  -0.318270D+01 -0.216317D+01 -0.859916D+00 -0.145876D+00 -0.384014D+01
      2   0.378700D-01  0.124647D+02  0.831571D+00 -0.554643D+00  0.161012D+01
      3  -0.132300D+02 -0.108178D+01 -0.129781D-01  0.121512D+01  0.979138D+00
                61            62            63            64            65 
      1  -0.403802D+01 -0.554941D+00  0.220712D+01  0.624161D+00 -0.169639D+00
      2   0.110932D+01  0.172154D+01 -0.416669D+01  0.134627D+01  0.202917D+00
      3  -0.864953D+00  0.402574D+01  0.280486D+01  0.122673D+01 -0.660180D+00
                66            67            68            69            70 
      1  -0.762314D+00  0.200967D+00  0.788476D+00  0.131717D+00 -0.114493D+01
      2   0.497890D+00 -0.269677D+00 -0.109949D+00 -0.327253D-01 -0.262348D+01
      3  -0.610174D+00  0.124061D+01 -0.289292D+00 -0.201470D+00 -0.748964D+00
                71            72            73            74            75 
      1   0.237615D+01  0.510777D+01  0.157869D+01  0.133229D+01 -0.109307D+01
      2   0.374787D+00 -0.453686D-01 -0.110060D+01 -0.106920D+01  0.175561D+01
      3   0.579271D+00  0.349238D+00  0.149160D+00 -0.216910D+01 -0.367670D+00
                76            77            78            79            80 
      1   0.108810D+01  0.310076D+01 -0.337439D+01 -0.495885D+00 -0.104013D+01
      2  -0.693583D+00 -0.143584D+01  0.211663D+01  0.121010D+00  0.152103D+01
      3   0.237264D+01 -0.770833D+01  0.761036D+00 -0.142939D+01  0.157370D+01
                81            82            83            84            85 
      1   0.288078D+00 -0.785237D+00 -0.220496D+00  0.736730D+00  0.150318D+00
      2  -0.207698D+00  0.218298D+01 -0.422369D+00 -0.881028D+00  0.221021D+00
      3  -0.950454D+00 -0.133478D+01 -0.801116D+00  0.923349D+00  0.283552D+00
                86            87            88            89            90 
      1  -0.893967D+00  0.442003D+00 -0.483595D+00  0.305633D+01 -0.799574D+01
      2   0.134567D+01 -0.182476D+00 -0.371398D+01  0.118299D+01  0.111465D+02
      3   0.289976D+00 -0.131459D+01  0.162428D+01 -0.166089D+01 -0.863585D+00
                91            92            93            94            95 
      1  -0.889087D+00 -0.173172D+00  0.220433D+01  0.684477D-01 -0.707873D-01
      2   0.275912D+01  0.888018D+00 -0.950136D+00  0.838800D+00  0.369027D+00
      3  -0.201570D+02 -0.283501D+01  0.257883D+00 -0.386473D+01 -0.805595D+00
                96            97            98            99           100 
      1   0.255135D+00  0.132927D+01  0.943953D+00 -0.375408D+00 -0.325993D+01
      2  -0.104383D+01 -0.226915D+01 -0.282117D+00 -0.239195D+00 -0.824133D+00
      3  -0.351832D+00  0.158903D+01 -0.482499D+00 -0.338355D+00 -0.405266D+01
               101           102           103           104           105 
      1   0.334209D+00  0.490767D+01  0.159493D+00 -0.117328D+01  0.465255D-01
      2   0.695804D+00  0.276832D+01  0.622788D+00  0.154004D+00  0.539814D-01
      3  -0.276170D+00  0.304949D+01  0.613958D+00 -0.426617D+00  0.501808D-01
               106           107           108           109           110 
      1   0.548287D+01  0.406403D+00 -0.967557D+01  0.427854D+01 -0.114373D+01
      2   0.634941D+00 -0.838528D+00 -0.425175D+01  0.849157D+00 -0.904914D+00
      3   0.513268D+01  0.696180D+00 -0.508383D+01 -0.846125D+01  0.106022D+01
               111           112           113           114           115 
      1   0.487430D+01 -0.153789D+01  0.593632D+00 -0.136864D+01  0.509896D+01
      2   0.279987D+01 -0.600662D+00  0.272148D-01 -0.665887D+00  0.834095D+00
      3  -0.408347D+01  0.297300D+01 -0.311524D+00  0.128541D+01 -0.636322D+01
               116           117           118           119           120 
      1  -0.350555D+00  0.545159D+01  0.177287D+01 -0.114439D+00  0.103979D+01
      2  -0.834418D+00  0.245186D+01  0.573029D+01 -0.139261D+01  0.528674D+01
      3   0.686138D+00 -0.486838D+01 -0.828506D+00 -0.342787D+01 -0.481911D+00
               121           122           123           124           125 
      1  -0.332141D+00  0.116835D+00 -0.557885D+00  0.115007D+01  0.428000D+00
      2  -0.110708D+01  0.789228D+00 -0.705994D+00  0.466580D+01 -0.115389D+01
      3  -0.309471D+00  0.176299D+01 -0.501448D+00 -0.554558D+00 -0.221511D+01
               126 
      1   0.664274D+00
      2   0.377248D+01
      3  -0.162310D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.398250D+00  0.952500D+00  0.170432D+01  0.937247D+01 -0.440652D+01
      2  -0.360407D+01 -0.217536D+01 -0.365469D+01 -0.123816D+02 -0.102886D+02
      3   0.400231D+01  0.122286D+01  0.195037D+01  0.300917D+01  0.146952D+02
      4   0.406492D+01 -0.108138D+02  0.408908D+01 -0.165312D+02 -0.177779D+02
      5   0.782966D+01  0.594691D+00  0.173297D+01 -0.242056D+01  0.290205D+01
      6   0.380440D+01  0.109829D+01  0.476210D+01  0.195082D+00  0.250196D+00
                 6             7             8             9            10 
      1  -0.738048D+00  0.619104D+01 -0.412597D+00  0.125088D+02 -0.490667D+01
      2   0.377333D+01 -0.277125D+01  0.255933D+01  0.635708D+01  0.610842D+01
      3  -0.303528D+01 -0.341979D+01 -0.214673D+01 -0.188659D+02 -0.120175D+01
      4   0.336328D+01  0.195555D+01  0.492332D+01  0.202525D+00 -0.631030D+00
      5   0.246331D+01  0.229749D+01  0.294311D+00 -0.131710D+02 -0.267433D+01
      6  -0.158378D+01  0.223253D+01  0.628621D+00 -0.864271D+01 -0.291111D+01
                11            12            13            14            15 
      1  -0.619938D+01 -0.368312D+01  0.897506D-01  0.960788D+00  0.817290D+00
      2   0.107414D+02  0.781263D+00  0.308025D+01 -0.210260D+01  0.282855D+00
      3  -0.454199D+01  0.290186D+01 -0.317000D+01  0.114182D+01 -0.110015D+01
      4  -0.134385D+01 -0.252949D+01 -0.214789D+01  0.371214D+01 -0.217564D+00
      5  -0.489413D+00 -0.184426D+01  0.289195D+00  0.662287D+00  0.235950D+01
      6  -0.290290D+00 -0.507592D+00  0.125711D+00  0.912791D+00 -0.320520D+00
                16            17            18            19            20 
      1  -0.505898D+01  0.695496D+00  0.883136D+01 -0.326144D+02 -0.524771D+01
      2  -0.408751D+00 -0.391281D+01  0.807172D+01  0.188899D+02  0.483777D+01
      3   0.546773D+01  0.321732D+01 -0.169031D+02  0.137244D+02  0.409938D+00
      4  -0.324334D+01 -0.652805D+00 -0.334449D+01 -0.106964D+02 -0.123051D+02
      5  -0.596614D+00 -0.104976D+01  0.477939D+01  0.587915D+01  0.577041D-01
      6  -0.406414D+01  0.237124D+00  0.736511D+01  0.252916D+01  0.206624D+01
                21            22            23            24            25 
      1   0.447304D+00 -0.117009D+01  0.872555D+01  0.439952D+00  0.846753D+01
      2  -0.485673D+01  0.206066D+01 -0.134338D+02 -0.132887D+01 -0.589223D+01
      3   0.440943D+01 -0.890564D+00  0.470824D+01  0.888920D+00 -0.257530D+01
      4   0.226063D+01 -0.188918D+01  0.738625D+01 -0.115155D+01  0.393774D+01
      5  -0.136826D+02 -0.452852D+00 -0.138344D+01  0.187583D+01  0.121436D+01
      6   0.896008D+00 -0.122226D+01 -0.275074D+01 -0.657250D+01 -0.150743D+01
                26            27            28            29            30 
      1  -0.136600D+01 -0.721350D+01 -0.168307D+01 -0.209466D+01 -0.770441D+00
      2  -0.991317D-01 -0.305150D+01  0.651824D+01  0.817284D+00  0.896740D+00
      3   0.146513D+01  0.102650D+02 -0.483517D+01  0.127738D+01 -0.126299D+00
      4   0.416694D+01 -0.851616D+00  0.450305D+01  0.153268D+02 -0.602171D+00
      5  -0.115383D+01  0.689212D+01 -0.366213D+00  0.150213D+00  0.634531D+01
      6   0.143190D+01  0.156752D+01 -0.141887D+01 -0.299491D+00 -0.118078D+01
                31            32            33            34            35 
      1  -0.916926D+00 -0.261327D+02 -0.192034D+01  0.954032D-01  0.233871D+00
      2  -0.207663D+01  0.389471D+02  0.148608D+01  0.643196D+00  0.106736D+00
      3   0.299356D+01 -0.128144D+02  0.434261D+00 -0.738599D+00 -0.340607D+00
      4   0.109433D+02 -0.813198D+00  0.101656D+01 -0.133637D+01 -0.619293D+00
      5   0.456188D+00  0.136382D+01 -0.199418D+01  0.365256D+01  0.122046D+01
      6   0.731045D+00  0.412520D+01  0.140574D+02 -0.264646D+01  0.129317D+02
                36            37            38            39            40 
      1  -0.865124D+01 -0.180271D+01 -0.694874D+00 -0.123635D+02 -0.742938D+01
      2   0.466073D+01  0.387537D+00 -0.177344D+01  0.868109D+01  0.497951D+01
      3   0.399051D+01  0.141517D+01  0.246832D+01  0.368243D+01  0.244986D+01
      4   0.179549D+00 -0.767922D+00  0.674995D+01  0.260567D+01  0.110725D+02
      5   0.231957D+00 -0.167062D+02  0.308967D+01  0.284596D+01  0.304797D+01
      6   0.163254D+01  0.216262D+01 -0.105634D+01 -0.136724D+01 -0.966287D+00
                41            42            43            44            45 
      1   0.772388D+00  0.708219D+00 -0.243872D+02  0.485328D+01 -0.543120D+01
      2   0.711360D+01 -0.151728D+01  0.147457D+02 -0.131243D+01 -0.205795D+01
      3  -0.788599D+01  0.809061D+00  0.964145D+01 -0.354085D+01  0.748916D+01
      4  -0.760328D+01 -0.399939D+01  0.644050D+01 -0.564530D+01 -0.151570D+01
      5  -0.467480D+01 -0.246870D+01  0.181056D+01 -0.312105D+01 -0.106855D+02
      6   0.630153D+00  0.599504D+01  0.103292D+01  0.379842D+01  0.258240D+01
                46            47            48            49            50 
      1  -0.187471D+01  0.571048D+01 -0.646649D+00  0.263910D+01 -0.141810D+02
      2   0.321359D+01 -0.845991D+01 -0.151969D+01 -0.620844D+01  0.285697D+02
      3  -0.133888D+01  0.274943D+01  0.216634D+01  0.356934D+01 -0.143888D+02
      4   0.126849D+02  0.314867D+01  0.353028D+01  0.991188D+01 -0.142454D+02
      5  -0.372799D+01  0.235811D+01 -0.642193D+01  0.130072D+01 -0.686927D+00
      6   0.430995D+01 -0.208322D+01  0.136705D+02 -0.256196D+01  0.108476D+00
                51            52            53            54            55 
      1   0.782770D+00  0.837161D-01  0.960290D+00 -0.112137D+02  0.668212D+02
      2   0.706318D+00 -0.244421D+01  0.101855D+01  0.831553D+01 -0.404280D+02
      3  -0.148909D+01  0.236050D+01 -0.197884D+01  0.289814D+01 -0.263931D+02
      4  -0.219734D+01  0.466666D+01 -0.242609D+01  0.118655D+02  0.213318D+02
      5  -0.196292D+01 -0.650387D+01  0.258076D+01  0.200718D+01 -0.868056D+01
      6   0.756793D+01  0.147220D+02  0.762474D+01 -0.432983D+01 -0.234638D+01
                56            57            58            59            60 
      1   0.193311D+01 -0.406331D+01  0.232695D+01  0.389511D+01  0.538537D+00
      2   0.285292D+01  0.600446D+01  0.110381D+01  0.257472D+01 -0.182920D+00
      3  -0.478603D+01 -0.194116D+01 -0.343075D+01 -0.646983D+01 -0.355617D+00
      4   0.187411D+02 -0.208794D+01  0.166561D+02  0.616749D+01 -0.223073D+01
      5  -0.512546D+00  0.212986D+02 -0.250940D+00 -0.183813D+01  0.166760D+01
      6  -0.697905D+00  0.392529D+01 -0.142901D+01 -0.104491D+01  0.577225D+01
                61            62            63            64            65 
      1  -0.678955D+01  0.103297D+01  0.778033D+01 -0.147202D+00  0.525062D+00
      2   0.703708D+01 -0.678485D+00 -0.108337D+02 -0.411129D+01 -0.572672D+00
      3  -0.247524D+00 -0.354486D+00  0.305342D+01  0.425849D+01  0.476096D-01
      4  -0.246765D+01 -0.354768D+01  0.521378D+01  0.149240D+01  0.198410D+01
      5   0.195665D+02  0.201932D+01 -0.103263D+02 -0.175856D+01  0.700297D-02
      6   0.631676D+01  0.576947D+01 -0.372286D+01 -0.120414D+01 -0.857232D+00
                66            67            68            69            70 
      1   0.139026D+01 -0.291985D-01 -0.324279D+01  0.800489D+00  0.174176D+01
      2   0.189333D+01  0.577686D+00  0.547717D+00 -0.244750D+01  0.289059D+01
      3  -0.328359D+01 -0.548488D+00  0.269507D+01  0.164701D+01 -0.463235D+01
      4  -0.111239D+01  0.205956D+01  0.605495D+00 -0.305991D+00 -0.124286D+01
      5   0.679900D+01  0.155587D+00 -0.122222D+01 -0.164927D+00  0.474013D+01
      6   0.145737D+01 -0.995638D+00 -0.164525D+01  0.559351D+01  0.191402D+01
                71            72            73            74            75 
      1   0.230627D+01 -0.172397D+02  0.777563D+01  0.435488D+01 -0.142196D+01
      2  -0.135054D+01 -0.149667D+02  0.134478D+01  0.342571D+01  0.700327D-01
      3  -0.955722D+00  0.322063D+02 -0.912042D+01 -0.778059D+01  0.135193D+01
      4   0.740194D+00  0.136246D+01  0.139437D+02  0.156598D+02 -0.150790D+01
      5   0.473744D+00 -0.462038D+01 -0.867970D+00 -0.486131D-01  0.269460D+01
      6   0.501273D+01 -0.101939D+02 -0.520571D+00  0.192663D+00  0.160744D+01
                76            77            78            79            80 
      1   0.395458D+01 -0.582605D+01  0.364337D+00 -0.275751D+01  0.378183D+00
      2   0.554511D+01  0.230521D+02 -0.234146D+01  0.513441D+00 -0.303329D+01
      3  -0.949969D+01 -0.172260D+02  0.197712D+01  0.224407D+01  0.265510D+01
      4   0.179813D+02  0.302766D+02 -0.210161D+01 -0.320258D+01 -0.470196D+01
      5   0.570929D+00 -0.797908D+00  0.362892D+01  0.335054D+01  0.446660D+01
      6   0.774416D+00  0.674175D+00  0.461610D+01  0.246772D+01  0.532353D+01
                81            82            83            84            85 
      1  -0.220487D+01 -0.200823D+01  0.641674D+00  0.474049D+01 -0.164561D+01
      2   0.134419D+01 -0.124126D+01  0.437300D+00 -0.121885D+01  0.194342D+01
      3   0.860675D+00  0.324950D+01 -0.107897D+01 -0.352165D+01 -0.297819D+00
      4   0.516334D+01 -0.204075D+00  0.252300D+01  0.786463D+00  0.261235D+01
      5  -0.531476D+00  0.139291D+01  0.331535D-01  0.364861D+01 -0.156737D+00
      6  -0.849675D+00  0.955868D+00 -0.966800D+00 -0.177107D+01  0.250367D+00
                86            87            88            89            90 
      1  -0.240811D+01 -0.106583D+01  0.458094D+01 -0.302194D+01 -0.185441D+02
      2   0.451627D+00  0.214951D+01 -0.318557D+01  0.182760D+01 -0.143073D+02
      3   0.195648D+01 -0.108368D+01 -0.139537D+01  0.119435D+01  0.328514D+02
      4   0.185016D+01  0.243385D+01  0.145440D+01  0.261023D+01  0.227218D+01
      5   0.225184D+01 -0.912922D+00  0.587353D+01  0.132400D+01  0.193378D+02
      6   0.137147D+01  0.527191D+01  0.340829D+00  0.524160D+01  0.113510D+02
                91            92            93            94            95 
      1   0.350001D+01  0.910087D+01  0.146998D+01  0.204868D+01  0.130514D+01
      2  -0.345662D+01 -0.109348D+02 -0.748026D+00 -0.368112D+01 -0.144367D-01
      3  -0.433898D-01  0.183397D+01 -0.721953D+00  0.163244D+01 -0.129071D+01
      4  -0.112351D+02 -0.763415D+00  0.126009D+01  0.291211D+00 -0.474701D+01
      5   0.355741D+00  0.567824D+00 -0.150179D+01  0.640510D+00  0.714802D-01
      6   0.191752D+01 -0.998255D+00 -0.336065D+01 -0.240052D+00  0.194362D+00
                96            97            98            99           100 
      1   0.375942D+00  0.464419D-02 -0.569615D+00 -0.104913D+01  0.515647D+01
      2  -0.468096D-01 -0.104577D-01  0.581505D+00 -0.188627D+00 -0.233495D+01
      3  -0.329132D+00  0.581356D-02 -0.118904D-01  0.123776D+01 -0.282152D+01
      4  -0.228686D+00  0.166272D+01 -0.838659D-01 -0.119025D+01 -0.879925D+01
      5  -0.190715D+01  0.120437D+01 -0.518218D+00 -0.842561D+00 -0.534448D+01
      6   0.428686D+00 -0.142101D+01  0.219690D+01  0.883520D+00  0.512411D+01
               101           102           103           104           105 
      1  -0.117780D+01 -0.240889D+01 -0.138083D+01 -0.174281D+01  0.227030D-01
      2  -0.380786D+00  0.189883D+01  0.961121D+00  0.251866D+01  0.128946D+01
      3   0.155858D+01  0.510057D+00  0.419705D+00 -0.775843D+00 -0.131216D+01
      4   0.525789D+01  0.521098D+01  0.210568D+01 -0.539993D-01 -0.167927D+01
      5   0.148342D+01  0.775615D+01  0.129402D+00 -0.125383D+01 -0.126539D+00
      6  -0.209560D+01 -0.806144D+01 -0.125847D+01  0.531883D+00  0.151884D+01
               106           107           108           109           110 
      1  -0.310123D+01 -0.246860D+01  0.344158D+00  0.999234D+01 -0.242608D+01
      2   0.325127D+01  0.396422D+01 -0.543293D+01 -0.279423D+01 -0.142854D+01
      3  -0.150035D+00 -0.149562D+01  0.508877D+01 -0.719811D+01  0.385462D+01
      4   0.730907D+01 -0.394022D+01 -0.749541D+01 -0.185890D+02  0.105377D+02
      5   0.755639D+01 -0.214677D+01 -0.118082D+02  0.101584D+02 -0.400384D+01
      6  -0.852268D+01  0.356316D+01  0.155745D+02 -0.941875D+01  0.479176D+01
               111           112           113           114           115 
      1   0.375464D+01 -0.160249D+01 -0.241222D+01 -0.330307D+00  0.309878D+01
      2  -0.157453D+01 -0.932679D+00  0.489808D+01 -0.147720D+01 -0.193445D+01
      3  -0.218011D+01  0.253517D+01 -0.248587D+01  0.180751D+01 -0.116433D+01
      4  -0.872136D+01  0.705591D+01 -0.335562D+01  0.384028D+01 -0.111112D+02
      5   0.915760D+01 -0.165756D+01  0.215403D+01 -0.127393D+01  0.982766D+01
      6  -0.882731D+01  0.399650D+01 -0.209849D+01  0.412419D+01 -0.105193D+02
               116           117           118           119           120 
      1   0.111164D+01  0.118392D+01  0.418667D+02 -0.811198D+01  0.104121D+02
      2  -0.255903D+01 -0.325731D+01 -0.233306D+02  0.398016D+01 -0.593381D+01
      3   0.144739D+01  0.207338D+01 -0.185361D+02  0.413182D+01 -0.447824D+01
      4   0.556184D+01 -0.942764D+01 -0.914853D+01  0.653747D+01 -0.265600D+01
      5  -0.383370D+01  0.946807D+01  0.134313D+02 -0.276143D+01  0.925792D+01
      6   0.584496D+01 -0.111003D+02 -0.298383D+01  0.119618D+01 -0.124262D+01
               121           122           123           124           125 
      1  -0.489006D+01  0.386630D+01 -0.114635D+01  0.185501D+02 -0.408387D+01
      2   0.229502D+01 -0.118010D+01  0.355769D+00 -0.117150D+02  0.253716D+01
      3   0.259504D+01 -0.268621D+01  0.790578D+00 -0.683510D+01  0.154672D+01
      4   0.713625D+01 -0.345221D+01  0.237904D+01 -0.482264D+01  0.361470D+01
      5  -0.165184D+01  0.245175D+01 -0.118388D+01  0.132643D+02 -0.260630D+01
      6   0.152143D+01 -0.733368D+00  0.161706D+01 -0.239619D+01  0.163545D+01
               126 
      1   0.884138D+01
      2  -0.671061D+01
      3  -0.213078D+01
      4  -0.243418D+01
      5   0.818977D+01
      6  -0.159136D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168203D+01      0.427530D+01      0.142609D+02
   x          0.154871D+01      0.393643D+01      0.131305D+02
   y          0.643250D+00      0.163498D+01      0.545370D+01
   z          0.130228D+00      0.331007D+00      0.110412D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.545377D+02      0.808165D+01      0.899205D+01
   aniso      0.174382D+02      0.258407D+01      0.287517D+01
   xx         0.632193D+02      0.936814D+01      0.104235D+02
   yx        -0.258434D+01     -0.382959D+00     -0.426099D+00
   yy         0.562968D+02      0.834233D+01      0.928209D+01
   zx        -0.722744D+00     -0.107100D+00     -0.119164D+00
   zy         0.651251D+00      0.965054D-01      0.107377D+00
   zz         0.440969D+02      0.653448D+01      0.727059D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.588614D+02      0.872236D+01      0.970494D+01
   aniso      0.174738D+02      0.258935D+01      0.288105D+01
   xx         0.672578D+02      0.996658D+01      0.110893D+02
   yx        -0.205043D+01     -0.303843D+00     -0.338071D+00
   yy         0.612403D+02      0.907488D+01      0.100972D+02
   zx        -0.107913D+01     -0.159910D+00     -0.177924D+00
   zy         0.525950D+00      0.779378D-01      0.867175D-01
   zz         0.480861D+02      0.712563D+01      0.792833D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.54354721          0.10789743          2.81323632
     6          0.20027468          1.35873309          0.31343411
     6          0.08798134         -0.48685048         -1.94270076
     8          1.23434714         -2.72438941         -1.60337706
     8          1.27950892         -1.82280845          3.38001315
     7         -1.32574102          3.60760059         -0.04667247
     8         -0.92916588          0.03841745         -3.90150443
     1          2.17943380          1.92969780          0.51026694
     1         -0.54471018          1.55745160          4.27791968
     1         -2.44299371         -0.70225701          2.67219370
     1          1.73880016         -2.88813589          0.16930590
     1         -2.99679917          3.12300562         -0.85395043
     1         -0.47934174          4.76969363         -1.30899538
     1          0.68001989         -2.85109160          4.75510032

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168203D+01      0.427530D+01      0.142609D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168203D+01      0.427530D+01      0.142609D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.545377D+02      0.808165D+01      0.899205D+01
   aniso      0.174382D+02      0.258407D+01      0.287517D+01
   xx         0.473045D+02      0.700980D+01      0.779945D+01
   yx        -0.612553D+01     -0.907710D+00     -0.100996D+01
   yy         0.561007D+02      0.831326D+01      0.924975D+01
   zx         0.315031D+01      0.466828D+00      0.519416D+00
   zy        -0.323421D+01     -0.479260D+00     -0.533249D+00
   zz         0.602079D+02      0.892189D+01      0.992694D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.588614D+02      0.872236D+01      0.970494D+01
   aniso      0.174738D+02      0.258935D+01      0.288105D+01
   xx         0.513880D+02      0.761491D+01      0.847273D+01
   yx        -0.623723D+01     -0.924263D+00     -0.102838D+01
   yy         0.605001D+02      0.896519D+01      0.997512D+01
   zx         0.326712D+01      0.484137D+00      0.538675D+00
   zy        -0.243107D+01     -0.360247D+00     -0.400829D+00
   zz         0.646962D+02      0.958698D+01      0.106670D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-29\Freq\RM11\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.29073,0.712663,
 0.358259\C,-0.059673,0.650207,-0.359706\C,-0.852428,-0.63102,-0.023937
 \O,-0.170827,-1.783936,-0.115771\O,2.106421,-0.370921,-0.116056\N,-0.7
 96184,1.869755,-0.086038\O,-2.012397,-0.611288,0.285099\H,0.160738,0.6
 08893,-1.4315\H,1.753555,1.672222,0.125488\H,1.147859,0.642089,1.44190
 5\H,0.778104,-1.587327,-0.255792\H,-1.294207,1.773751,0.79315\H,-1.516
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 CHILDREN YOU ARE VERY LITTLE,
 AND YOUR BONES ARE VERY BRITTLE;
 IF YOU WOULD GROW GREAT AND STATELY
 YOU MUST TRY TO WALK SEDATELY.
 YOU MUST STILL BE BRIGHT AND QUIET,
 AND CONTENT WITH SIMPLE DIET;
 AND REMAIN, THROUGH ALL BEWILD'RING
 INNOCENT AND HONEST CHILDREN.
     -- A CHILD'S GARDEN OF VERSE,
        ROBERT LOUIS STEVENSON
 Job cpu time:       0 days  1 hours  0 minutes 57.3 seconds.
 Elapsed time:       0 days  0 hours  7 minutes 39.0 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:45:08 2021.
